5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid

C13H9BrN2O3 — CID 43414649

IUPAC5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H9BrN2O3/c14-9-2-4-10(5-3-9)16-12(17)8-1-6-11(13(18)19)15-7-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyYZCULOIYFLGWCZ-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.79
Rot. Bonds3

About 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414649) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414649
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H9BrN2O3/c14-9-2-4-10(5-3-9)16-12(17)8-1-6-11(13(18)19)15-7-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyYZCULOIYFLGWCZ-UHFFFAOYSA-N
XLogP2.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(4-bromophenyl)pyridine-2,5-dicarboxamide
CID 47460208
N-(4-bromophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724746
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
5-[2-(4-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 154857316
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
4-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
5-[(3-bromo-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 103644305

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414649) is 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(Br)cc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YZCULOIYFLGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c14-9-2-4-10(5-3-9)16-12(17)8-1-6-11(13(18)19)15-7-8/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 321.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).