4-Iodopyridine

C₅H₄INCAS 15854-87-2205.00 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₄IN
Molar mass: 205.00 g/mol
Exact mass: 204.9388 Da
logP: 1.69Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed86% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15854-87-2

SMILES

C1=CN=CC=C1I

InChIKey

RTLUPHDWSUGAOS-UHFFFAOYSA-N

InChI

InChI=1S/C5H4IN/c6-5-1-3-7-4-2-5/h1-4H

Weigh it out

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

Work with 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

1,4-Diiodobenzene624-38-453 % similar 4,4′-Bipyridine553-26-447 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-744 % similar 4,4''-Diiodo-P-terphenyl19053-14-644 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-844 % similar Iodobenzene591-50-444 % similar 1,2-Bis(4-pyridyl)ethane4916-57-842 % similar 2-Bromo-4-iodopyridine100523-96-440 % similar

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

Same formula

3-Iodopyridine1120-90-7 2-Iodopyridine5029-67-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook