2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid

C12H7F2NO2S — CID 43236179

IUPAC2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C12H7F2NO2S/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(16)17)3-4-15-11/h1-6H,(H,16,17)
InChIKeyPEDDDSVVVANFIH-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.21
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid

2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid (PubChem CID 43236179) has the molecular formula C12H7F2NO2S and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid
PubChem CID43236179
Molecular FormulaC12H7F2NO2S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C12H7F2NO2S/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(16)17)3-4-15-11/h1-6H,(H,16,17)
InChIKeyPEDDDSVVVANFIH-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)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-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid (CID 43236179) is 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid is O=C(O)c1ccnc(Sc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is PEDDDSVVVANFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2S/c13-8-1-2-10(9(14)6-8)18-11-5-7(12(16)17)3-4-15-11/h1-6H,(H,16,17).
What are the key properties of 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid?
2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 43236179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).