6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid

C13H6F2N2O2S — CID 81293505

IUPAC6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESN#Cc1cc(F)c(Sc2ccc(C(=O)O)cn2)c(F)c1
InChIInChI=1S/C13H6F2N2O2S/c14-9-3-7(5-16)4-10(15)12(9)20-11-2-1-8(6-17-11)13(18)19/h1-4,6H,(H,18,19)
InChIKeyZGASAHVFKFSERE-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.08
Rot. Bonds3

About 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid

6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81293505) has the molecular formula C13H6F2N2O2S and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID81293505
Molecular FormulaC13H6F2N2O2S
Molecular Weight292.27 g/mol
Exact Mass292.01
IUPAC Name6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESN#Cc1cc(F)c(Sc2ccc(C(=O)O)cn2)c(F)c1
InChIInChI=1S/C13H6F2N2O2S/c14-9-3-7(5-16)4-10(15)12(9)20-11-2-1-8(6-17-11)13(18)19/h1-4,6H,(H,18,19)
InChIKeyZGASAHVFKFSERE-UHFFFAOYSA-N
XLogP3.08
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-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 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid (CID 81293505) is 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid is N#Cc1cc(F)c(Sc2ccc(C(=O)O)cn2)c(F)c1.
What is the InChIKey of 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is ZGASAHVFKFSERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F2N2O2S/c14-9-3-7(5-16)4-10(15)12(9)20-11-2-1-8(6-17-11)13(18)19/h1-4,6H,(H,18,19).
What are the key properties of 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyano-2,6-difluorophenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81293505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).