chempirical

6-Chloro-3-nitro-imidazo(1,2-b)pyridazine

C6H3ClN4O2CAS 18087-76-8198.57 g/mol

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

Properties

Molecular formula
C6H3ClN4O2
Molar mass
198.57 g/mol
Exact mass
197.9945 Da
Melting point
210 °C
logP
1.29Crippen estimate
Polar surface area
73.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
18087-76-8
SMILES
O=[N+]([O-])c1cnc2ccc(Cl)nn12
InChIKey
IJEZMDPWGDWYKJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN4O2/c7-4-1-2-5-8-3-6(11(12)13)10(5)9-4/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • 6-Chloro-3-nitroimidazo[1,2-B]pyridazine
  • Imidazo[1,2-b]pyridazine, 6-chloro-3-nitro-

Work with 6-Chloro-3-nitro-imidazo(1,2-b)pyridazine

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-nitropyridine4548-45-254 % similar 3-Bromo-6-chloroimidazo(1,2-b)pyridazine13526-66-450 % similar 6-Chloro-imidazo[1,2-B]pyridazin-3-amine166176-45-049 % similar 2-Chloro-4-nitropyridine23056-36-244 % similar 2-Chloro-5-nitropyrimidine10320-42-042 % similar 6-Nitroimidazo[1,2-A]pyridine25045-82-341 % similar 2,6-Dichloro-3-nitropyridine16013-85-740 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-040 % similar

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

Same formula

5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine1363380-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook