2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid

C14H13NO2 — CID 112561990

IUPAC2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H13NO2/c1-9-5-3-4-6-11(9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyAXZWPVHGPXRFSA-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid

2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 112561990) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
PubChem CID112561990
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H13NO2/c1-9-5-3-4-6-11(9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17)
InChIKeyAXZWPVHGPXRFSA-UHFFFAOYSA-N
XLogP3.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 112562051
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]benzoic acid
CID 13125665
6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylpyridine-3-carboxylic acid
CID 112561983
4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
CID 12784962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid (CID 112561990) is 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid is Cc1ccccc1-c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is AXZWPVHGPXRFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-5-3-4-6-11(9)13-8-7-12(14(16)17)10(2)15-13/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid?
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 112561990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).