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

C13H11NO2 — CID 822960

IUPAC2-methyl-6-phenylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyXFJZPGWVRLQCHP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

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

2-methyl-6-phenylpyridine-3-carboxylic acid (PubChem CID 822960) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-phenylpyridine-3-carboxylic acid
PubChem CID822960
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-methyl-6-phenylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyXFJZPGWVRLQCHP-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-phenylpyridine-3-carboxylic acid (CID 822960) is 2-methyl-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-phenylpyridine-3-carboxylic acid is Cc1nc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-phenylpyridine-3-carboxylic acid?
The InChIKey is XFJZPGWVRLQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16).
What are the key properties of 2-methyl-6-phenylpyridine-3-carboxylic acid?
2-methyl-6-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 2-methyl-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 822960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).