3-phenylpyridine-4-carboxylic acid;hydrochloride

C12H10ClNO2 — CID 138991288

IUPAC3-phenylpyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccncc1-c1ccccc1
InChIInChI=1S/C12H9NO2.ClH/c14-12(15)10-6-7-13-8-11(10)9-4-2-1-3-5-9;/h1-8H,(H,14,15);1H
InChIKeyRKRHEXASBMTERG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.87
Rot. Bonds2

About 3-phenylpyridine-4-carboxylic acid;hydrochloride

3-phenylpyridine-4-carboxylic acid;hydrochloride (PubChem CID 138991288) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-phenylpyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-phenylpyridine-4-carboxylic acid;hydrochloride
PubChem CID138991288
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name3-phenylpyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccncc1-c1ccccc1
InChIInChI=1S/C12H9NO2.ClH/c14-12(15)10-6-7-13-8-11(10)9-4-2-1-3-5-9;/h1-8H,(H,14,15);1H
InChIKeyRKRHEXASBMTERG-UHFFFAOYSA-N
XLogP2.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenylpyridine-4-carboxylic acid;hydrochloride 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-phenylpyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-phenylpyridine-4-carboxylic acid;hydrochloride (CID 138991288) is 3-phenylpyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-phenylpyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-phenylpyridine-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccncc1-c1ccccc1.
What is the InChIKey of 3-phenylpyridine-4-carboxylic acid;hydrochloride?
The InChIKey is RKRHEXASBMTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2.ClH/c14-12(15)10-6-7-13-8-11(10)9-4-2-1-3-5-9;/h1-8H,(H,14,15);1H.
What are the key properties of 3-phenylpyridine-4-carboxylic acid;hydrochloride?
3-phenylpyridine-4-carboxylic acid;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 138991288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).