2,6-Dichloro-4-ethylpyridine-3,5-dicarbonitrile
PubChem CID
85707501
Structure
Molecular Formula
Synonyms
- 18520-07-5
- 2,6-Dichloro-4-ethylpyridine-3,5-dicarbonitrile
- SCHEMBL19717463
- DB-408750
- F96582
Molecular Weight
226.06 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2014-11-03
- Modify:2024-12-07
Chemical Structure Depiction
2,6-dichloro-4-ethylpyridine-3,5-dicarbonitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H5Cl2N3/c1-2-5-6(3-12)8(10)14-9(11)7(5)4-13/h2H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
FNNCIXFVQXIZSX-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCC1=C(C(=NC(=C1C#N)Cl)Cl)C#N
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C9H5Cl2N3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.06 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
224.9860526 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
224.9860526 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
60.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
272
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)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FNNCIXFVQXIZSX-UHFFFAOYSA-N
CONTENTS