4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile

C₁₁H₆ClFN₂OCAS 622369-40-8236.63 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₁H₆ClFN₂O
Molar mass: 236.63 g/mol
Exact mass: 236.0153 Da
logP: 2.91Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

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

Identifiers

CAS number

622369-40-8

SMILES

COc1cc2c(Cl)c(C#N)cnc2cc1F

InChIKey

PNVRUIFACIJUKH-UHFFFAOYSA-N

InChI

InChI=1S/C11H6ClFN2O/c1-16-10-2-7-9(3-8(10)13)15-5-6(4-14)11(7)12/h2-3,5H,1H3

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Names and synonyms

1 names

3-Quinolinecarbonitrile, 4-chloro-7-fluoro-6-methoxy-

Work with 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile

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-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile214470-68-561 % similar 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile305371-18-055 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-947 % similar N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide848133-76-645 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-242 % similar 3-Fluoro-4-methoxybenzonitrile331-62-442 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-541 % similar 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonitrile175204-41-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook