2-Chloro-5-fluoro-3,8-dimethylquinoline

C₁₁H₉ClFNCAS 175204-94-1209.65 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₁H₉ClFN
Molar mass: 209.65 g/mol
Exact mass: 209.0408 Da
logP: 3.64Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H303 May be harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

175204-94-1

SMILES

CC1=C2C(=C(C=C1)F)C=C(C(=N2)Cl)C

InChIKey

VHZSLPPYDBJXMQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H9ClFN/c1-6-3-4-9(13)8-5-7(2)11(12)14-10(6)8/h3-5H,1-2H3

Weigh it out

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

Work with 2-Chloro-5-fluoro-3,8-dimethylquinoline

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-Chloro-3-fluoro-6-methylpyridine374633-32-643 % similar 2,6-Dichloro-3-methylpyridine58584-94-442 % similar 4-Chloro-1-fluoro-2-methylbenzene452-66-441 % similar 4-Chloro-2-fluoro-1-methylbenzene452-75-541 % similar 2-Chloro-3-methylquinoline57876-69-440 % similar 6-Chloro-5-methylpyridin-2-amine442129-37-539 % similar 2-Chloro-5-fluoro-3-methylpyridine38186-84-438 % similar 4-Chloro-2,8-dimethylquinoline32314-39-938 % similar

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

Elsewhere

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