6-Bromo-4-hydroxyquinoline

C₉H₆BrNOCAS 145369-94-4224.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrNO
Molar mass: 224.06 g/mol
Exact mass: 222.9633 Da
logP: 2.29Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 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, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

145369-94-4

SMILES

C1=CC2=C(C=C1Br)C(=O)C=CN2

InChIKey

XKLBNOHKHRAXKK-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

6-Bromo-1,4-dihydroquinolin-4-one

Work with 6-Bromo-4-hydroxyquinoline

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

7-Bromoquinolin-4-ol82121-06-074 % similar 6-Fluoroquinolin-4-ol391-78-659 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-154 % similar 5-Bromoindole10075-50-053 % similar 4-Hydroxyquinoline611-36-953 % similar 6-(Trifluoromethoxy)-4-quinolinol175203-87-951 % similar 6-Bromoindole52415-29-948 % similar 3,6-Dibromocarbazole6825-20-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-8-hydroxyquinoline1198-14-7 6-Bromoindole-3-carbaldehyde17826-04-9 6-Bromoquinolin-2(1H)-one1810-66-8 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 7-Bromo-1-hydroxyisoquinoline223671-15-6 4-Bromobenzoylacetonitrile4592-94-3 3-(2-Bromoacetyl)benzonitrile50916-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook