2-Chlorohypoxanthine
PubChem CID
135421792
Structure
Molecular Formula
Synonyms
- 13368-14-4
- 2-Chlorohypoxanthine
- 2-CHLORO-6-HYDROXYPURINE
- 2-chloro-9h-purin-6-ol
- 2-chloro-7H-purin-6-ol
Molecular Weight
170.56 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2019-01-15
- Modify:2025-01-11
Chemical Structure Depiction
2-chloro-1,7-dihydropurin-6-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C5H3ClN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WIEATFFSFYPBQD-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=NC2=C(N1)C(=O)NC(=N2)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C5H3ClN4O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
13368-14-4
2-chlorohypoxanthine
- 13368-14-4
- 2-Chlorohypoxanthine
- 2-CHLORO-6-HYDROXYPURINE
- 2-chloro-9h-purin-6-ol
- 2-chloro-7H-purin-6-ol
- 2-CHLORO-1,7-DIHYDROPURIN-6-ONE
- 2-chloro-3,7-dihydropurin-6-one
- 2-Chloro-1,7-dihydro-6H-purin-6-one
- 2-chloro-1H-purin-6(9H)-one
- 6H-Purin-6-one, 2-chloro-1,7-dihydro-
- DTXSID00158313
- NSC 12159
- C5H3ClN4O
- 2-chloro-6-hydroxy-purine
- SCHEMBL612168
- SCHEMBL1919722
- DTXCID2080804
- SCHEMBL16147017
- 2-chlorohypoxanthine, AldrichCPR
- WIEATFFSFYPBQD-UHFFFAOYSA-N
- NSC12159
- 2-chloro-1,7-dihydro-purin-6-one
- MFCD12024836
- NSC-12159
- AKOS006275445
- AKOS016003124
- SB75225
- EN300-225207
- F50775
- 1935237-78-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
170.56 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
0.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
169.9995384 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
169.9995384 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
70.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
11
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
229
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WIEATFFSFYPBQD-UHFFFAOYSA-N
- ChemIDplus2-Chlorohypoxanthinehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0013368144ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox2-Chlorohypoxanthinehttps://comptox.epa.gov/dashboard/DTXSID00158313CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata2-Chloro-6-hydroxypurinehttps://www.wikidata.org/wiki/Q72451955
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html2-chlorohypoxanthinehttps://www.ncbi.nlm.nih.gov/mesh/67104243
- PATENTSCOPE (WIPO)SID 388498498https://pubchem.ncbi.nlm.nih.gov/substance/388498498
CONTENTS