2-Iodopyrimidine

C₄H₃IN₂CAS 31462-54-1205.99 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₃IN₂
Molar mass: 205.99 g/mol
Exact mass: 205.9341 Da
logP: 1.08Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

31462-54-1

SMILES

C1=CN=C(N=C1)I

InChIKey

AXDGIPMYJALRKV-UHFFFAOYSA-N

InChI

InChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H

Weigh it out

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

Work with 2-Iodopyrimidine

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

2,2′-Bipyrimidine34671-83-547 % similar 2-Chloropyrimidine1722-12-942 % similar 5-Bromo-2-iodopyrimidine183438-24-641 % similar 2-Iodopyridine5029-67-441 % similar 5-Chloro-2-iodopyrimidine874676-81-041 % similar 2-Mercaptopyrimidine1450-85-740 % similar 2-Bromopyrimidine4595-60-240 % similar 2-Methylpyrimidine5053-43-040 % similar

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

Same formula

5-Iodopyrimidine31462-58-5 Iodopyrazine32111-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook