4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid

C14H11BrN2O3 — CID 62960045

IUPAC4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ccc(Br)cn2)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-6-10(3-4-11(8)14(19)20)17-13(18)12-5-2-9(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDFDFCDKBPLONGV-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.10
Rot. Bonds3

About 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid

4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 62960045) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
PubChem CID62960045
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2ccc(Br)cn2)ccc1C(=O)O
InChIInChI=1S/C14H11BrN2O3/c1-8-6-10(3-4-11(8)14(19)20)17-13(18)12-5-2-9(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDFDFCDKBPLONGV-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-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid (CID 62960045) is 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2ccc(Br)cn2)ccc1C(=O)O.
What is the InChIKey of 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is DFDFCDKBPLONGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-6-10(3-4-11(8)14(19)20)17-13(18)12-5-2-9(15)7-16-12/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid?
4-[(5-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-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62960045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).