3-methyl-2-phenylpyridine-4-carboxylic acid

C13H11NO2 — CID 83916989

IUPAC3-methyl-2-phenylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-14-12(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyKRGNBEVESOAZIF-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds2

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

3-methyl-2-phenylpyridine-4-carboxylic acid (PubChem CID 83916989) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-2-phenylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-phenylpyridine-4-carboxylic acid
PubChem CID83916989
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-methyl-2-phenylpyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1-c1ccccc1
InChIInChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-14-12(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyKRGNBEVESOAZIF-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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Related Compounds

3-methyl-2-(6-oxo-1H-pyridin-3-yl)pyridine-4-carboxylic acid
CID 154360310
2-(2,3-dichlorophenyl)-3-methylpyridine-4-carboxylic acid
CID 170837701
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143
4-cyclopropyl-3-methyl-2-phenylpyridine
CID 152579101
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
2,3-dimethylterephthalic acid
CID 158313107
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
N-methyl-2-phenylpyridine-3-carboxamide
CID 123139602
7-methyl-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 160512752
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylpyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-phenylpyridine-4-carboxylic acid (CID 83916989) is 3-methyl-2-phenylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-phenylpyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-phenylpyridine-4-carboxylic acid is Cc1c(C(=O)O)ccnc1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylpyridine-4-carboxylic acid?
The InChIKey is KRGNBEVESOAZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9-11(13(15)16)7-8-14-12(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16).
What are the key properties of 3-methyl-2-phenylpyridine-4-carboxylic acid?
3-methyl-2-phenylpyridine-4-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-2-phenylpyridine-4-carboxylic acid is sourced from PubChem (CID 83916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).