4-Iodo-2-(trifluoromethyl)pyridine

C₆H₃F₃INCAS 590371-73-6273.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃F₃IN
Molar mass: 273.00 g/mol
Exact mass: 272.9262 Da
Melting point: 24–26 °C
logP: 2.71Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

590371-73-6

SMILES

FC(F)(F)c1cc(I)ccn1

InChIKey

OYQSAEIWDLIZHC-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3IN/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 4-iodo-2-(trifluoromethyl)-

Work with 4-Iodo-2-(trifluoromethyl)pyridine

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-Trifluoromethyl-4-chloropyridine131748-14-655 % similar 4-Amino-2-trifluoromethylpyridine147149-98-255 % similar 2-Fluoro-4-iodopyridine22282-70-850 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-047 % similar 2-(Trifluoromethyl)pyridine368-48-947 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-646 % similar 2-Bromo-4-iodopyridine100523-96-445 % similar 2-Chloro-4-iodopyridine153034-86-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-5-(trifluoromethyl)pyridine100366-75-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook