3-cyano-4-phenylpyridine-2-carboxylic acid

C13H8N2O2 — CID 14825888

IUPAC3-cyano-4-phenylpyridine-2-carboxylic acid
SMILESN#Cc1c(-c2ccccc2)ccnc1C(=O)O
InChIInChI=1S/C13H8N2O2/c14-8-11-10(9-4-2-1-3-5-9)6-7-15-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyWTYDFXYNGZNGEK-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.32
Rot. Bonds2

About 3-cyano-4-phenylpyridine-2-carboxylic acid

3-cyano-4-phenylpyridine-2-carboxylic acid (PubChem CID 14825888) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-cyano-4-phenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyano-4-phenylpyridine-2-carboxylic acid
PubChem CID14825888
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name3-cyano-4-phenylpyridine-2-carboxylic acid
SMILESN#Cc1c(-c2ccccc2)ccnc1C(=O)O
InChIInChI=1S/C13H8N2O2/c14-8-11-10(9-4-2-1-3-5-9)6-7-15-12(11)13(16)17/h1-7H,(H,16,17)
InChIKeyWTYDFXYNGZNGEK-UHFFFAOYSA-N
XLogP2.32
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-4-phenylpyridine-2-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 3-cyano-4-phenylpyridine-2-carboxylic acid?
The IUPAC name of 3-cyano-4-phenylpyridine-2-carboxylic acid (CID 14825888) is 3-cyano-4-phenylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-cyano-4-phenylpyridine-2-carboxylic acid?
The canonical SMILES for 3-cyano-4-phenylpyridine-2-carboxylic acid is N#Cc1c(-c2ccccc2)ccnc1C(=O)O.
What is the InChIKey of 3-cyano-4-phenylpyridine-2-carboxylic acid?
The InChIKey is WTYDFXYNGZNGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c14-8-11-10(9-4-2-1-3-5-9)6-7-15-12(11)13(16)17/h1-7H,(H,16,17).
What are the key properties of 3-cyano-4-phenylpyridine-2-carboxylic acid?
3-cyano-4-phenylpyridine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-phenylpyridine-2-carboxylic acid is sourced from PubChem (CID 14825888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).