2-Chloro-5-nitropyrimidine

C4H2ClN3O2CAS 10320-42-0159.53 g/mol

Open in Covalent MOL file
ON+O−NClN
Aryl halideNitro

Properties

Molecular formula
C4H2ClN3O2
Molar mass
159.53 g/mol
Exact mass
158.9836 Da
Melting point
110–111 °C
logP
1.04Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10320-42-0
SMILES
O=[N+]([O-])c1cnc(Cl)nc1
InChIKey
OFCBNMYNAHUDGE-UHFFFAOYSA-N
InChI
InChI=1S/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H

Weigh it out

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

Names and synonyms

2 names
  • Pyrimidine, 2-chloro-5-nitro-
  • NSC 528724

Work with 2-Chloro-5-nitropyrimidine

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-Chloro-5-nitropyridine4548-45-262 % similar 2,3-Dichloro-5-nitropyridine22353-40-856 % similar 2-Chloro-3,5-dinitropyridine2578-45-256 % similar 2,4-Dichloro-5-nitropyrimidine49845-33-253 % similar 2-Chloro-3-fluoro-5-nitropyridine1079179-12-653 % similar 2-Chloro-3-methyl-5-nitropyridine22280-56-453 % similar 3-Chloro-5-nitro-2(1H)-pyridinone22353-38-453 % similar 3-Bromo-2-chloro-5-nitropyridine5470-17-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook