3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile

C12H6Cl2N2S — CID 107060679

IUPAC3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H6Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H
InChIKeyWWVWNXQDNYHCGQ-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.41
Rot. Bonds2

About 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile

3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile (PubChem CID 107060679) has the molecular formula C12H6Cl2N2S and a molecular weight of 281.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
PubChem CID107060679
Molecular FormulaC12H6Cl2N2S
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H6Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H
InChIKeyWWVWNXQDNYHCGQ-UHFFFAOYSA-N
XLogP4.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]-2-fluorobenzoic acid
CID 107059311
3-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
CID 2821439
3-chloro-2-pyrimidin-4-ylsulfanylpyridine-4-carbonitrile
CID 107060763
2-(4-chlorophenyl)sulfanyl-4-methoxypyridine-3-carbonitrile
CID 1470971
2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
CID 107060721
[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
CID 107061145
3-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059253
3-amino-2-phenylsulfanylpyridine-4-carbonitrile
CID 82813419
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
CID 107060790
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 107061618
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059255
3-amino-2-(4-methoxyphenyl)sulfanylpyridine-4-carbonitrile
CID 82812797

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile (CID 107060679) is 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(Sc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The InChIKey is WWVWNXQDNYHCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2S/c13-9-1-3-10(4-2-9)17-12-11(14)8(7-15)5-6-16-12/h1-6H.
What are the key properties of 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile has a molecular weight of 281.17 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 107060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).