8-Bromoquinoline-4-carboxylic acid

C10H6BrNO2CAS 121490-67-3252.07 g/mol

Open in Covalent MOL file
NBrOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
121490-67-3
SMILES
C1=CC2=C(C=CN=C2C(=C1)Br)C(=O)O
InChIKey
HLEBPQHZLBSIJC-UHFFFAOYSA-N
InChI
InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 8-Bromoquinoline-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

5-Bromonaphthalene-1-carboxylic acid16726-67-361 % similar 4-Quinolinecarboxylic acid486-74-858 % similar 5-Carboxy-8-hydroxyquinoline5852-78-856 % similar 4-Bromo-1-naphtalenecarboxylic acid16650-55-855 % similar Quinoline-5-carboxylic acid7250-53-553 % similar 3-Bromoisonicotinic acid13959-02-951 % similar Quinoxaline-5-carboxylic acid6924-66-950 % similar 8-Quinolinecarboxylic acid86-59-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Bromophenyl)maleimide13380-67-1 4-Bromoquinoline-6-carboxylic acid219763-87-8 1-Bromo-5-nitronaphthalene5328-76-7

Elsewhere

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