3-Cyano-2-fluoro-6-picoline

C₇H₅FN₂CAS 54957-80-1136.13 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₅FN₂
Molar mass: 136.13 g/mol
Exact mass: 136.0437 Da
logP: 1.40Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

54957-80-1

SMILES

CC1=NC(=C(C=C1)C#N)F

InChIKey

YHGWMSLBTCAHJR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-6-methylnicotinonitrile

Work with 3-Cyano-2-fluoro-6-picoline

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-6-methyl-3-pyridinecarbonitrile28900-10-958 % similar 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-458 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-749 % similar 3-Amino-2-fluoro-6-methylpyridine374633-34-848 % similar 3-Bromo-2-fluoro-6-picoline375368-78-848 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-747 % similar 2-Fluoro-4-methylbenzonitrile85070-67-346 % similar 3-Bromo-6-methylpyridine-2-carbonitrile717843-48-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 3-Amino-5-fluorobenzonitrile210992-28-2 5-Cyano-2-fluoro-3-picoline261625-67-6 4-Fluoroindazole341-23-1 7-Fluoro-1H-indazole341-24-2 6-Fluoro-1H-indazole348-25-4 5-Fluoro-1H-indazole348-26-5

Elsewhere

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