1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carbonitrile

C₁₄H₉FN₄CAS 256376-65-5252.25 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₁₄H₉FN₄
Molar mass: 252.25 g/mol
Exact mass: 252.0811 Da
logP: 2.49Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

256376-65-5

SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C#N)F

InChIKey

CSUUGTRFBZTTQW-UHFFFAOYSA-N

InChI

InChI=1S/C14H9FN4/c15-12-6-2-1-4-10(12)9-19-14-11(5-3-7-17-14)13(8-16)18-19/h1-7H,9H2

Weigh it out

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

Names and synonyms

1 names

1-((2-Fluorophenyl)methyl)pyrazolo(3,4-b)pyridine-3-carbonitrile

Work with 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carbonitrile

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-Cyano-3-fluoropyridine97509-75-649 % similar Riociguat625115-55-139 % similar Pyridine-2,3-dicarbonitrile17132-78-435 % similar 2-Fluorobenzeneacetonitrile326-62-535 % similar 4,5-Dichloro-2-(2-fluorobenzyl)pyridazine-3(2H)-one175135-46-334 % similar 3-Bromopyridine-2-carbonitrile55758-02-634 % similar 3-(2-(3-Chlorophenyl)ethyl)-2-pyridinecarbonitrile31255-57-934 % similar 1-Isoquinolinecarbonitrile1198-30-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook