6-methyl-4-phenylpyridine-3-carboxylic acid

C13H11NO2 — CID 82113463

IUPAC6-methyl-4-phenylpyridine-3-carboxylic acid
SMILESCc1cc(-c2ccccc2)c(C(=O)O)cn1
InChIInChI=1S/C13H11NO2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyZKZNBZOLHKLJDQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 6-methyl-4-phenylpyridine-3-carboxylic acid

6-methyl-4-phenylpyridine-3-carboxylic acid (PubChem CID 82113463) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-methyl-4-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-phenylpyridine-3-carboxylic acid
PubChem CID82113463
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name6-methyl-4-phenylpyridine-3-carboxylic acid
SMILESCc1cc(-c2ccccc2)c(C(=O)O)cn1
InChIInChI=1S/C13H11NO2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyZKZNBZOLHKLJDQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-phenylpyridine-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-methyl-4-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-phenylpyridine-3-carboxylic acid (CID 82113463) is 6-methyl-4-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-phenylpyridine-3-carboxylic acid is Cc1cc(-c2ccccc2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-phenylpyridine-3-carboxylic acid?
The InChIKey is ZKZNBZOLHKLJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-7-11(10-5-3-2-4-6-10)12(8-14-9)13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methyl-4-phenylpyridine-3-carboxylic acid?
6-methyl-4-phenylpyridine-3-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 82113463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).