8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid

C10H4BrClFNO2 — CID 82184176

IUPAC8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c(Br)cc(F)cc12
InChIInChI=1S/C10H4BrClFNO2/c11-7-2-4(13)1-5-6(10(15)16)3-8(12)14-9(5)7/h1-3H,(H,15,16)
InChIKeyRKUHHXDUYPWJSK-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.49
Rot. Bonds1

About 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid

8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid (PubChem CID 82184176) has the molecular formula C10H4BrClFNO2 and a molecular weight of 304.50 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
PubChem CID82184176
Molecular FormulaC10H4BrClFNO2
Molecular Weight304.50 g/mol
Exact Mass302.91
IUPAC Name8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c(Br)cc(F)cc12
InChIInChI=1S/C10H4BrClFNO2/c11-7-2-4(13)1-5-6(10(15)16)3-8(12)14-9(5)7/h1-3H,(H,15,16)
InChIKeyRKUHHXDUYPWJSK-UHFFFAOYSA-N
XLogP3.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-bromo-2-chloro-6-fluoroquinoline-4-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

8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
CID 170753013
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
4-bromo-6-fluoro-2-(trifluoromethyl)quinoline-8-carboxylic acid
CID 84820533
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
2-chloro-5,7-difluoroquinoline-3-carboxylic acid
CID 114553227
2-bromo-4,5-difluorobenzoic acid;2-bromo-4-fluorobenzoic acid
CID 175275604
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
6-bromo-2-(4-fluorophenyl)-7,8-dimethylquinoline-4-carboxylic acid
CID 4712144
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 63463144

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid (CID 82184176) is 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid is O=C(O)c1cc(Cl)nc2c(Br)cc(F)cc12.
What is the InChIKey of 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid?
The InChIKey is RKUHHXDUYPWJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFNO2/c11-7-2-4(13)1-5-6(10(15)16)3-8(12)14-9(5)7/h1-3H,(H,15,16).
What are the key properties of 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid?
8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid has a molecular weight of 304.50 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 82184176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).