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

C14H11BrN2O3 — CID 63651193

IUPAC4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(Br)ccc1C(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-6-9(15)2-3-11(8)13(18)17-10-4-5-16-12(7-10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyFFJXSEAPJKHBFN-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

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

4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63651193) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63651193
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
SMILESCc1cc(Br)ccc1C(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O3/c1-8-6-9(15)2-3-11(8)13(18)17-10-4-5-16-12(7-10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyFFJXSEAPJKHBFN-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-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-[(5-chlorofuran-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55244586
4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 114030963
4-[(2-hydroxy-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63650620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid (CID 63651193) is 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid is Cc1cc(Br)ccc1C(=O)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is FFJXSEAPJKHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-6-9(15)2-3-11(8)13(18)17-10-4-5-16-12(7-10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid?
4-[(4-bromo-2-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 4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).