3-methyl-6-phenylpyridine-2-carboxylic acid

C13H11NO2 — CID 71435914

IUPAC3-methyl-6-phenylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C13H11NO2/c1-9-7-8-11(14-12(9)13(15)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyXKTHDFVQPLKVEN-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

About 3-methyl-6-phenylpyridine-2-carboxylic acid

3-methyl-6-phenylpyridine-2-carboxylic acid (PubChem CID 71435914) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-6-phenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-phenylpyridine-2-carboxylic acid
PubChem CID71435914
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-methyl-6-phenylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C13H11NO2/c1-9-7-8-11(14-12(9)13(15)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyXKTHDFVQPLKVEN-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 3-methyl-6-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-methyl-6-phenylpyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-6-phenylpyridine-2-carboxylic acid (CID 71435914) is 3-methyl-6-phenylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-6-phenylpyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-6-phenylpyridine-2-carboxylic acid is Cc1ccc(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 3-methyl-6-phenylpyridine-2-carboxylic acid?
The InChIKey is XKTHDFVQPLKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-7-8-11(14-12(9)13(15)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16).
What are the key properties of 3-methyl-6-phenylpyridine-2-carboxylic acid?
3-methyl-6-phenylpyridine-2-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 3-methyl-6-phenylpyridine-2-carboxylic acid is sourced from PubChem (CID 71435914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).