2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid

C14H10N2O3S — CID 81303665

IUPAC2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid
SMILESCOc1ccc(C#N)c(Sc2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H10N2O3S/c1-19-11-3-2-10(8-15)12(7-11)20-13-6-9(14(17)18)4-5-16-13/h2-7H,1H3,(H,17,18)
InChIKeySBPQHGXHRKGCPN-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid

2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid (PubChem CID 81303665) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid
PubChem CID81303665
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid
SMILESCOc1ccc(C#N)c(Sc2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H10N2O3S/c1-19-11-3-2-10(8-15)12(7-11)20-13-6-9(14(17)18)4-5-16-13/h2-7H,1H3,(H,17,18)
InChIKeySBPQHGXHRKGCPN-UHFFFAOYSA-N
XLogP2.81
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid (CID 81303665) is 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid is COc1ccc(C#N)c(Sc2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is SBPQHGXHRKGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-11-3-2-10(8-15)12(7-11)20-13-6-9(14(17)18)4-5-16-13/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid?
2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-5-methoxyphenyl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 81303665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).