6-bromoquinoline-3-carboxylic acid

C10H6BrNO2 — CID 17039590

IUPAC6-bromoquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Br)cc2c1
InChIInChI=1S/C10H6BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChIKeyHVNYDSMSHWJYHG-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 6-bromoquinoline-3-carboxylic acid

6-bromoquinoline-3-carboxylic acid (PubChem CID 17039590) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 6-bromoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromoquinoline-3-carboxylic acid
PubChem CID17039590
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name6-bromoquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(Br)cc2c1
InChIInChI=1S/C10H6BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14)
InChIKeyHVNYDSMSHWJYHG-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 6-bromoquinoline-3-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

Frequently Asked Questions

What is the IUPAC name of 6-bromoquinoline-3-carboxylic acid?
The IUPAC name of 6-bromoquinoline-3-carboxylic acid (CID 17039590) is 6-bromoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromoquinoline-3-carboxylic acid?
The canonical SMILES for 6-bromoquinoline-3-carboxylic acid is O=C(O)c1cnc2ccc(Br)cc2c1.
What is the InChIKey of 6-bromoquinoline-3-carboxylic acid?
The InChIKey is HVNYDSMSHWJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 6-bromoquinoline-3-carboxylic acid?
6-bromoquinoline-3-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 6-bromoquinoline-3-carboxylic acid is sourced from PubChem (CID 17039590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).