Phenol, 4-((2,6-diamino-3-pyridinyl)azo)-
PubChem CID
72705
Structure
Molecular Formula
Synonyms
- NSC108235
- 64000-76-6
- MLS002704027
- Phenol, 4-((2,6-diamino-3-pyridinyl)azo)-
- NSC 108235
Molecular Weight
229.24 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
4-[(2,6-diaminopyridin-3-yl)diazenyl]phenol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H11N5O/c12-10-6-5-9(11(13)14-10)16-15-7-1-3-8(17)4-2-7/h1-6,17H,(H4,12,13,14)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WVPIAVNLNVZYDZ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC(=CC=C1N=NC2=C(N=C(C=C2)N)N)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H11N5O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
64000-76-6
- NSC108235
- 64000-76-6
- MLS002704027
- Phenol, 4-((2,6-diamino-3-pyridinyl)azo)-
- NSC 108235
- 4'-Hydroxyphenazopyridine
- SCHEMBL5304477
- CHEMBL1726267
- CHEMBL4296975
- SCHEMBL25015372
- WVPIAVNLNVZYDZ-FOCLMDBBSA-N
- NSC-108235
- SMR001570734
- DS-012214
- 4-((2,6-Diaminopyridin-3-yl)diazenyl)phenol
- 4-[(E)-(2,6-Diamino-3-pyridinyl)diazenyl]phenol #
- PHENOL,4-[2-(2,6-DIAMINO-3-PYRIDINYL)DIAZENYL]-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
229.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
229.09635999 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
229.09635999 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
110 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
265
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)
NIST Number
122687
Library
Main library
Total Peaks
35
m/z Top Peak
229
m/z 2nd Highest
108
m/z 3rd Highest
54
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WVPIAVNLNVZYDZ-FOCLMDBBSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WVPIAVNLNVZYDZ-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusPhenol, 4-((2,6-diamino-3-pyridinyl)azo)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0064000766ChemIDplus 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
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law4'-Hydroxyphenazopyridinehttp://www.nist.gov/srd/nist1a.cfm
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 471383428https://pubchem.ncbi.nlm.nih.gov/substance/471383428SID 478330238https://pubchem.ncbi.nlm.nih.gov/substance/478330238
CONTENTS