2,6-Difluoro-4-iodopyridine

C₅H₂F₂INCAS 685517-71-9240.98 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₂F₂IN
Molar mass: 240.98 g/mol
Exact mass: 240.9200 Da
logP: 1.96Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

685517-71-9

SMILES

C1=C(C=C(N=C1F)F)I

InChIKey

AXPNCSVJCFXRBC-UHFFFAOYSA-N

InChI

InChI=1S/C5H2F2IN/c6-4-1-3(8)2-5(7)9-4/h1-2H

Weigh it out

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

Names and synonyms

1 names

Pyridine, 2,6-difluoro-4-iodo-

Work with 2,6-Difluoro-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

2,4,6-Trifluoropyridine3512-17-252 % similar 2-Fluoro-4-iodopyridine22282-70-852 % similar 4-Amino-2,6-difluoropyridine63489-58-748 % similar 1,3-Difluoro-5-iodobenzene2265-91-045 % similar 2,4,6-Trifluoropyrimidine696-82-245 % similar 2-Fluoro-5-iodopyridine171197-80-142 % similar 2,6-Difluoropyridine1513-65-141 % similar 2,6-Difluoro-4-iodoaniline141743-49-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluoro-4-iodopyridine1017793-20-2 2,4-Difluoro-3-iodopyridine837364-88-2 2,3-Difluoro-4-iodopyridine851386-34-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook