chempirical

5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine

C6H3ClN4O2CAS 1363380-51-1198.57 g/mol

Open in Covalent MOL file
NNN+OO−NCl
Aryl halideNitro

Properties

Molecular formula
C6H3ClN4O2
Molar mass
198.57 g/mol
Exact mass
197.9945 Da
logP
1.29Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
1363380-51-1
SMILES
C1=CN2C(=C(C=N2)[N+](=O)[O-])N=C1Cl
InChIKey
VYEUPRYCLWAOMU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN4O2/c7-5-1-2-10-6(9-5)4(3-8-10)11(12)13/h1-3H

Weigh it out

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

Work with 5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine

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

2,6-Dichloro-3-nitropyridine16013-85-749 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-047 % similar 2-Amino-6-chloro-3-nitropyridine27048-04-047 % similar 2-Chloro-5-nitropyridine4548-45-244 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-743 % similar 4-Chloro-3-nitropyridine13091-23-140 % similar 2-Chloro-4-methyl-5-nitropyridine23056-33-939 % similar 2-Chloro-3,5-dinitropyridine2578-45-238 % similar

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

Same formula

6-Chloro-3-nitroimidazo[1,2-B]pyridazine18087-76-8

Elsewhere

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