2-Fluoro-5-iodobenzonitrile

C₇H₃FINCAS 351003-36-6247.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃FIN
Molar mass: 247.01 g/mol
Exact mass: 246.9294 Da
logP: 2.30Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.7% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H332 Harmful if inhaled95.7% of notifiers
H335 May cause respiratory irritation10.6% of notifiers

Aggregated from 47 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

351003-36-6

SMILES

N#Cc1cc(I)ccc1F

InChIKey

BIZHQRAAZMDWNK-UHFFFAOYSA-N

InChI

InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2-fluoro-5-iodo-

Work with 2-Fluoro-5-iodobenzonitrile

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

2,5-Difluorobenzonitrile64248-64-260 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 5-Amino-2-fluorobenzonitrile53312-81-556 % similar 5-Chloro-2-fluorobenzonitrile57381-34-756 % similar 2-Fluoro-5-methylbenzonitrile64113-84-456 % similar 1,2-Difluoro-4-iodobenzene64248-58-454 % similar 3-Cyano-4-fluorobenzotrifluoride4088-84-053 % similar

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

Same formula

2-Fluoro-4-iodobenzonitrile137553-42-5 2-Fluoro-6-iodobenzonitrile79544-29-9 3-Fluoro-4-iodobenzonitrile887266-99-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook