3-Chloro-6-(3,5-dimethyl-4-bromo-1-pyrazolyl)-pyridazine

HCID 12562844

Notes Reactions

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Basic information

CAS: 70588-86-2
Standard SMILES: Cc1nn(-c2ccc(Cl)nn2)c(C)c1Br
InChIKey: CMGRDLNEHMAXLW-UHFFFAOYSA-N
Molecular formula: C9H8BrClN4
Average molar mass: 287.54 g/mol
Monoisotopic mass: 285.96208604

Names & identifiers

Preferred name: 3-Chloro-6-(3,5-dimethyl-4-bromo-1-pyrazolyl)-pyridazine
IUPAC: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyridazine

Names & synonyms

SCHEMBL114644433-chloro-6-(3,5-dimethyl-4-bromo-1-pyrazolyl)-pyridazineCMGRDLNEHMAXLW-UHFFFAOYSA-NDTXSID701188042AKOS01140855170588-86-23-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloropyridazine

Database identifiers

CAS: 70588-86-2
PubChem CID: 12562844
DTXSID: DTXSID701188042

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 230

Related reactions

2 records

New reaction record

HRID 27890As productuspto-grants-1980_09

HRID 943984As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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