3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

C14H11BrN2O3 — CID 104739652

IUPAC3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(Br)c(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-4-5-10(15)9(7-8)13(18)17-11-3-2-6-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyJEVWCQIICBEXTJ-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid

3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 104739652) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID104739652
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(Br)c(C(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-4-5-10(15)9(7-8)13(18)17-11-3-2-6-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyJEVWCQIICBEXTJ-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-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743808
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 104739652) is 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1ccc(Br)c(C(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is JEVWCQIICBEXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-4-5-10(15)9(7-8)13(18)17-11-3-2-6-16-12(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid?
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-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 3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).