6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C15H13BrN2O3 — CID 107577295

IUPAC6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C15H13BrN2O3/c1-8-5-10(16)7-11(6-8)18-14(19)13-4-3-12(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyIXXURCOONQHMAN-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.41
Rot. Bonds3

About 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 107577295) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID107577295
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)c(C)n2)c1
InChIInChI=1S/C15H13BrN2O3/c1-8-5-10(16)7-11(6-8)18-14(19)13-4-3-12(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyIXXURCOONQHMAN-UHFFFAOYSA-N
XLogP3.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107578995
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 107577295) is 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1cc(Br)cc(NC(=O)c2ccc(C(=O)O)c(C)n2)c1.
What is the InChIKey of 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is IXXURCOONQHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-8-5-10(16)7-11(6-8)18-14(19)13-4-3-12(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 349.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 107577295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).