5-chloro-6-ethenylpyridine-3-carbonitrile

C8H5ClN2 — CID 119086945

IUPAC5-chloro-6-ethenylpyridine-3-carbonitrile
SMILESC=Cc1ncc(C#N)cc1Cl
InChIInChI=1S/C8H5ClN2/c1-2-8-7(9)3-6(4-10)5-11-8/h2-3,5H,1H2
InChIKeyTWFAIKZOYBYRNT-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.25
Rot. Bonds1

About 5-chloro-6-ethenylpyridine-3-carbonitrile

5-chloro-6-ethenylpyridine-3-carbonitrile (PubChem CID 119086945) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 5-chloro-6-ethenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-ethenylpyridine-3-carbonitrile
PubChem CID119086945
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name5-chloro-6-ethenylpyridine-3-carbonitrile
SMILESC=Cc1ncc(C#N)cc1Cl
InChIInChI=1S/C8H5ClN2/c1-2-8-7(9)3-6(4-10)5-11-8/h2-3,5H,1H2
InChIKeyTWFAIKZOYBYRNT-UHFFFAOYSA-N
XLogP2.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-ethynylpyridine-3-carbonitrile
CID 122241554
5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 58554205
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
5-chloropyridine-3-carbonitrile
CID 12645070
5,6-bis(2,6-dichlorophenyl)pyridine-3-carbonitrile
CID 133095960
2-chloro-5-cyanopyridine-3-carboxylic acid
CID 55219588
5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
CID 126954354
3,5-dichloro-4-sulfanylbenzonitrile
CID 177238776
5-chloro-6-[2-(1H-pyrrol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 84598906
5-amino-6-(2,3,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134637003
6-chloro-5-(1,2,3-trihydroxypropyl)pyridine-3-carbonitrile
CID 170817826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethenylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-ethenylpyridine-3-carbonitrile (CID 119086945) is 5-chloro-6-ethenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-ethenylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-ethenylpyridine-3-carbonitrile is C=Cc1ncc(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-ethenylpyridine-3-carbonitrile?
The InChIKey is TWFAIKZOYBYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c1-2-8-7(9)3-6(4-10)5-11-8/h2-3,5H,1H2.
What are the key properties of 5-chloro-6-ethenylpyridine-3-carbonitrile?
5-chloro-6-ethenylpyridine-3-carbonitrile has a molecular weight of 164.59 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethenylpyridine-3-carbonitrile is sourced from PubChem (CID 119086945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).