chempirical

2-Chloro-5-(trifluoromethyl)-4-iodopyridine

C6H2ClF3INCAS 505084-55-9307.44 g/mol

Open in Covalent MOL file
NClFFFI
Alkyl halideAryl halide

Properties

Molecular formula
C6H2ClF3IN
Molar mass
307.44 g/mol
Exact mass
306.8873 Da
logP
3.36Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
505084-55-9
SMILES
C1=C(C(=CN=C1Cl)C(F)(F)F)I
InChIKey
XEEQBBXEZSNIQV-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

Work with 2-Chloro-5-(trifluoromethyl)-4-iodopyridine

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-Chloro-5-(trifluoromethyl)-4-pyridinamine1061358-78-859 % similar 2-Chloro-5-fluoro-4-iodopyridine884494-49-955 % similar 5-Bromo-2-chloro-4-(trifluoromethyl)pyridine823221-93-854 % similar 2-Chloro-5-iodo-4-pyridinamine800402-12-446 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-144 % similar 2-Chloro-5-(trifluoromethyl)pyrazine799557-87-244 % similar 4-Chloro-6-trifluoromethylpyrimidine37552-81-143 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-343 % similar

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

Same formula

2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook