6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid

C13H10BrNO2 — CID 112562051

IUPAC6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2Br)ccc1C(=O)O
InChIInChI=1S/C13H10BrNO2/c1-8-9(13(16)17)6-7-12(15-8)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17)
InChIKeyDKYNALNOWGZBIL-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.52
Rot. Bonds2

About 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid

6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 112562051) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
PubChem CID112562051
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2Br)ccc1C(=O)O
InChIInChI=1S/C13H10BrNO2/c1-8-9(13(16)17)6-7-12(15-8)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17)
InChIKeyDKYNALNOWGZBIL-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
2-(2-bromophenyl)-5-methylbenzoic acid
CID 115503534
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-(2-bromophenyl)-4-methylquinoline-6-carboxylic acid
CID 68919304
5-(2-bromophenyl)pyridazine-4-carboxylic acid
CID 117127535
5-(2-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588488
2-amino-2-[4-(2-bromophenyl)-6-methylpyrimidin-2-yl]acetic acid
CID 116895771
2-(2-bromophenyl)-6-(2-methylphenyl)pyridine
CID 166649575

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid (CID 112562051) is 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(-c2ccccc2Br)ccc1C(=O)O.
What is the InChIKey of 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is DKYNALNOWGZBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-8-9(13(16)17)6-7-12(15-8)10-4-2-3-5-11(10)14/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid?
6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 292.13 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 112562051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).