5-Iodopyrimidine

C₄H₃IN₂CAS 31462-58-5205.99 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 swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

31462-58-5

SMILES

C1=C(C=NC=N1)I

InChIKey

DNWRLMRKDSGSPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-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

3-Iodopyridine1120-90-745 % similar 2-Chloro-5-iodopyrimidine32779-38-743 % similar 3-Bromo-5-iodopyridine233770-01-942 % similar 3-Fluoro-5-iodopyridine757950-13-342 % similar 4-Iodopyridine15854-87-240 % similar 5-Chloropyrimidine17180-94-840 % similar 5-Methylpyrimidine2036-41-140 % similar Pyrimidin-5-ol26456-59-740 % similar

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

Same formula

2-Iodopyrimidine31462-54-1 Iodopyrazine32111-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook