4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid

C14H11BrN2O3 — CID 107517066

IUPAC4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ncccc2Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-7-9(4-5-10(8)14(19)20)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDKWPMIVTVUXJSZ-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid

4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 107517066) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
PubChem CID107517066
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ncccc2Br)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-7-9(4-5-10(8)14(19)20)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDKWPMIVTVUXJSZ-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

3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid (CID 107517066) is 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2ncccc2Br)ccc1C(=O)O.
What is the InChIKey of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is DKWPMIVTVUXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-7-9(4-5-10(8)14(19)20)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic 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-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 107517066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).