5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

C14H11BrN2O3 — CID 62050351

IUPAC5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyJTQXYSBICLUFDF-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid

5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 62050351) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID62050351
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyJTQXYSBICLUFDF-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

5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid (CID 62050351) is 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1.
What is the InChIKey of 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is JTQXYSBICLUFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-2-3-9(7-16-8)13(18)17-12-5-4-10(15)6-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid?
5-bromo-2-[(6-methylpyridine-3-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 5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 62050351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).