2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid

C14H11BrN2O3 — CID 81470848

IUPAC2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccn2)cc1Br
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-9(6-11(8)15)13(18)17-12-7-10(14(19)20)4-5-16-12/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyATJSACNEXSAKNN-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid

2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 81470848) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID81470848
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccn2)cc1Br
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-9(6-11(8)15)13(18)17-12-7-10(14(19)20)4-5-16-12/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyATJSACNEXSAKNN-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

2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxybenzoic acid
CID 81457285
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
3-[(3-bromo-4-methylbenzoyl)amino]-4-fluorobenzoic acid
CID 81457052
2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
CID 79802588
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid (CID 81470848) is 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccn2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ATJSACNEXSAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-2-3-9(6-11(8)15)13(18)17-12-7-10(14(19)20)4-5-16-12/h2-7H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid?
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic 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 2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 81470848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).