2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid

C16H10BrNO2CAS 103914-52-9328.17 g/mol

Open in Covalent MOL file
NBrOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C16H10BrNO2
Molar mass
328.17 g/mol
Exact mass
326.9895 Da
logP
4.36Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103914-52-9
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O
InChIKey
JEUYPXDMAWIMOG-UHFFFAOYSA-N
InChI
InChI=1S/C16H10BrNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)

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Names and synonyms

1 names
  • 2-(4-Bromophenyl)quinoline-4-carboxylic acid

Work with 2-(4-Bromo-phenyl)-quinoline-4-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

2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid6952-34-779 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-373 % similar 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid5466-31-973 % similar Bicinchoninic acid1245-13-272 % similar 2-(4-Methoxyphenyl)quinoline-4-carboxylic acid4364-02-768 % similar 2-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-064 % similar 2-(2-Chlorophenyl)quinoline-4-carboxylic acid20389-09-760 % similar 2-Thiophen-2-yl-quinoline-4-carboxylic acid31792-47-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(3-Bromophenyl)quinoline-4-carboxylic acid298230-83-8 6-Bromo-2-phenyl-quinoline-4-carboxylic acid33007-99-7

Elsewhere

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