4-Chloro-5-iodopyrimidine

C₄H₂ClIN₂CAS 63558-65-6240.43 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂ClIN₂
Molar mass: 240.43 g/mol
Exact mass: 239.8951 Da
logP: 1.73Crippen 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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, 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

63558-65-6

SMILES

C1=C(C(=NC=N1)Cl)I

InChIKey

BIWOQXBVRYUITN-UHFFFAOYSA-N

InChI

InChI=1S/C4H2ClIN2/c5-4-3(6)1-7-2-8-4/h1-2H

Weigh it out

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

Work with 4-Chloro-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

2,4-Dichloro-5-iodopyrimidine13544-44-050 % similar 5-Amino-4-chloropyrimidine54660-78-550 % similar 5-Bromo-4-chloropyrimidine56181-39-650 % similar 2,5-Dichloro-3-iodopyridine942206-23-748 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-546 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-745 % similar 4-Chloro-5-methoxypyrimidine695-85-245 % similar 2-Chloro-3-iodopyridine78607-36-045 % similar

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

Same formula

3-Chloro-6-iodopyridazine135034-10-5 2-Chloro-5-iodopyrimidine32779-38-7 5-Chloro-2-iodopyrimidine874676-81-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook