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

C₆H₃ClN₄O₂CAS 1363380-51-1198.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃ClN₄O₂
Molar mass: 198.57 g/mol
Exact mass: 197.9945 Da
logP: 1.29Crippen estimate
Polar surface area: 73.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine960613-96-151 % similar 2,6-Dichloro-3-nitropyridine16013-85-749 % similar 2-Amino-6-chloro-3-nitropyridine136901-10-547 % 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 6-Chloro-2-methoxy-3-nitropyridine40851-91-043 % similar 6-Chloro-3-nitropyridine-2-carbonitrile93683-65-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-3-nitro-imidazo(1,2-b)pyridazine18087-76-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook