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

C12H7ClN2S — CID 1476754

IUPAC3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2S/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H
InChIKeyRUJSXFWMSABFTA-UHFFFAOYSA-N
MW246.72 g/mol
LogP3.76
Rot. Bonds2

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

3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile (PubChem CID 1476754) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
PubChem CID1476754
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H7ClN2S/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H
InChIKeyRUJSXFWMSABFTA-UHFFFAOYSA-N
XLogP3.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile (CID 1476754) is 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile is N#Cc1ccncc1Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
The InChIKey is RUJSXFWMSABFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-10-1-3-11(4-2-10)16-12-8-15-6-5-9(12)7-14/h1-6,8H.
What are the key properties of 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile?
3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile has a molecular weight of 246.72 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 1476754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).