2-Iodo-5-(trifluoromethyl)pyridine

C6H3F3INCAS 100366-75-4273.00 g/mol

Open in Covalent MOL file
FFFIN
Alkyl halideAryl halide

Properties

Molecular formula
C6H3F3IN
Molar mass
273.00 g/mol
Exact mass
272.9262 Da
Melting point
82–83 °C
logP
2.71Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
100366-75-4
SMILES
FC(F)(F)c1ccc(I)nc1
InChIKey
WSEVWIIOEQZEOU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Pyridine, 2-iodo-5-(trifluoromethyl)-
  • 2-Iodo-5-trifluoromethylpyridine

Work with 2-Iodo-5-(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-Fluoro-5-(trifluoromethyl)pyridine69045-82-555 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-153 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-353 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-653 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-550 % similar 2-Hydrazinyl-5-(trifluoromethyl)pyridine89570-85-450 % similar 5-(Trifluoromethyl)pyridin-2-ylboronic acid1162257-58-048 % similar 5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-(trifluoromethyl)pyridine590371-73-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook