3-bromoquinoline-2-carboxylic acid

C10H6BrNO2 — CID 67002098

IUPAC3-bromoquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1Br
InChIInChI=1S/C10H6BrNO2/c11-7-5-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-5H,(H,13,14)
InChIKeyCWLWJWAETQLUHB-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 3-bromoquinoline-2-carboxylic acid

3-bromoquinoline-2-carboxylic acid (PubChem CID 67002098) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-bromoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name3-bromoquinoline-2-carboxylic acid
PubChem CID67002098
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name3-bromoquinoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2cc1Br
InChIInChI=1S/C10H6BrNO2/c11-7-5-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-5H,(H,13,14)
InChIKeyCWLWJWAETQLUHB-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromoquinoline-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

Cinchophen
CID 8593
Quinaldic Acid
CID 7124
2,3-Quinolinedicarboxylic acid
CID 69508
8-Hydroxyquinaldic acid
CID 74079
2-(4-Bromophenyl)quinoline-4-carboxylic acid
CID 230595
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
Acridine-9-carboxylic acid
CID 94721
2-(3-Bromophenyl)quinoline-4-carboxylic acid
CID 673699
2-Cyclopropylquinoline-4-carboxylic acid
CID 275785
2-Methylquinoline-4-carboxylic acid
CID 604442
6-Bromo-2-(4-bromophenyl)quinoline-4-carboxylic acid
CID 1223599
Cinchoninic acid, 6-bromo-2-phenyl-
CID 208775

Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoline-2-carboxylic acid?
The IUPAC name of 3-bromoquinoline-2-carboxylic acid (CID 67002098) is 3-bromoquinoline-2-carboxylic acid.
What is the SMILES notation for 3-bromoquinoline-2-carboxylic acid?
The canonical SMILES for 3-bromoquinoline-2-carboxylic acid is O=C(O)c1nc2ccccc2cc1Br.
What is the InChIKey of 3-bromoquinoline-2-carboxylic acid?
The InChIKey is CWLWJWAETQLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-7-5-6-3-1-2-4-8(6)12-9(7)10(13)14/h1-5H,(H,13,14).
What are the key properties of 3-bromoquinoline-2-carboxylic acid?
3-bromoquinoline-2-carboxylic acid has a molecular weight of 252.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinoline-2-carboxylic acid is sourced from PubChem (CID 67002098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).