chempirical

5-Chloropyrimidine

C4H3ClN2CAS 17180-94-8114.53 g/mol

Open in Covalent MOL file
ClNN
Aryl halide

Properties

Molecular formula
C4H3ClN2
Molar mass
114.53 g/mol
Exact mass
113.9985 Da
Melting point
36.5 °C
logP
1.13Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17180-94-8
SMILES
Clc1cncnc1
InChIKey
ZLNPDTOTEVIMMY-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 5-chloro-

Work with 5-Chloropyrimidine

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

3,5-Dichloropyridine2457-47-856 % similar 2,5-Dichloropyrimidine22536-67-047 % similar 3-Chloropyridine626-60-845 % similar 5-Chloro-3-pyridinamine22353-34-042 % similar 3-Chloro-5-fluoropyridine514797-99-042 % similar 3-Bromo-5-chloropyridine73583-39-842 % similar 5-Chloro-3-pyridinol74115-12-142 % similar 5-(Chloromethyl)pyrimidine101346-02-541 % similar

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

Same formula

3-Chloropyridazine1120-95-2 Chloropyrazine14508-49-7 2-Chloropyrimidine1722-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook