4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid

C14H11BrN2O3 — CID 62338930

IUPAC4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
SMILESCc1cccnc1C(=O)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyGKDPKVXTKGSXDO-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid

4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid (PubChem CID 62338930) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
PubChem CID62338930
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
SMILESCc1cccnc1C(=O)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyGKDPKVXTKGSXDO-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
N-[5-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-methylpyridine-2-carboxamide
CID 107800735
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
4-bromo-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030937
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid (CID 62338930) is 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid is Cc1cccnc1C(=O)Nc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is GKDPKVXTKGSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-3-2-6-16-12(8)13(18)17-11-7-9(15)4-5-10(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid?
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 335.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 62338930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).