4-Bromoquinoline-6-carboxylic acid

C₁₀H₆BrNO₂CAS 219763-87-8252.07 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₆BrNO₂
Molar mass: 252.07 g/mol
Exact mass: 250.9582 Da
logP: 2.70Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

219763-87-8

SMILES

C1=CC2=NC=CC(=C2C=C1C(=O)O)Br

InChIKey

LXDXJSHQARTINV-UHFFFAOYSA-N

InChI

InChI=1S/C10H6BrNO2/c11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9/h1-5H,(H,13,14)

Weigh it out

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Work with 4-Bromoquinoline-6-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Quinoxalinecarboxylic acid6925-00-459 % similar 3,4-Dibromobenzoic acid619-03-454 % similar 2-Bromoisonicotinic acid66572-56-354 % similar 5-Bromonaphthalene-2-carboxylic acid1013-83-854 % similar 6-Quinolinecarboxylic acid10349-57-254 % similar 4-Bromo-3-methylbenzoic acid7697-28-153 % similar Bromoterephthalic acid586-35-651 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

8-Bromoquinoline-4-carboxylic acid121490-67-3 N-(4-Bromophenyl)maleimide13380-67-1 1-Bromo-5-nitronaphthalene5328-76-7

Elsewhere

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