4-Chloro-6-fluoroquinoline

C₉H₅ClFNCAS 391-77-5181.59 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₅ClFN
Molar mass: 181.59 g/mol
Exact mass: 181.0095 Da
logP: 3.03Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage84.4% of notifiers
H319 Causes serious eye irritation15.6% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

391-77-5

SMILES

C1=CC2=NC=CC(=C2C=C1F)Cl

InChIKey

CKTQPWIDUQGUGG-UHFFFAOYSA-N

InChI

InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H

Weigh it out

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

Work with 4-Chloro-6-fluoroquinoline

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

4,6-Dichloroquinoline4203-18-363 % similar 4-Chloro-6-methylquinoline18436-71-059 % similar 6-Bromo-4-chloroquinoline65340-70-759 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-658 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-654 % similar 4-Chloroquinoline611-35-853 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-151 % similar 4,7-Dichloroquinoline86-98-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-8-fluoroquinoline63010-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook