3-Iodopyridine-2-carbonitrile

C₆H₃IN₂CAS 827616-52-4230.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₃IN₂
Molar mass: 230.01 g/mol
Exact mass: 229.9341 Da
logP: 1.56Crippen 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 4 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

827616-52-4

SMILES

C1=CC(=C(N=C1)C#N)I

InChIKey

MZZGCCSFZCRVAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H3IN2/c7-5-2-1-3-9-6(5)4-8/h1-3H

Weigh it out

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

Work with 3-Iodopyridine-2-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

3-Methylpyridine-2-carbonitrile20970-75-660 % similar Pyridine-2,3-dicarbonitrile17132-78-459 % similar 3-Bromopyridine-2-carbonitrile55758-02-657 % similar 3-Chloropyridine-2-carbonitrile38180-46-055 % similar 3-Amino-2-pyridinecarbonitrile42242-11-555 % similar 3-Hydroxypyridine-2-carbonitrile932-35-455 % similar 2-Cyano-3-fluoropyridine97509-75-655 % similar 3-Fluoro-4-iodopyridine-2-carbonitrile669066-35-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook