4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one

C8H7Br2ClN2O — CID 106439738

IUPAC4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
SMILESCC(=CCl)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C8H7Br2ClN2O/c1-5(2-11)4-13-8(14)7(10)6(9)3-12-13/h2-3H,4H2,1H3
InChIKeyZXXJVUOPKWWWJJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.91
Rot. Bonds2

About 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one

4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one (PubChem CID 106439738) has the molecular formula C8H7Br2ClN2O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
PubChem CID106439738
Molecular FormulaC8H7Br2ClN2O
Molecular Weight342.42 g/mol
Exact Mass339.86
IUPAC Name4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
SMILESCC(=CCl)Cn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C8H7Br2ClN2O/c1-5(2-11)4-13-8(14)7(10)6(9)3-12-13/h2-3H,4H2,1H3
InChIKeyZXXJVUOPKWWWJJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dibromo-2-(2,3-dichloro-2-methylpropyl)pyridazin-3-one
CID 23039523
4,5-Dibromo-2-(3,3-dichloro-2-methylpropyl)pyridazin-3-one
CID 145809632
4,5-Dichloro-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one
CID 106439739
4,5-Dibromo-2-(3-methylbut-2-enyl)pyridazin-3-one
CID 114386359
4,5-Dibromo-2-(3-methylbut-3-enyl)pyridazin-3-one
CID 114447918
4,5-dibromo-2-[(E)-3-chloroprop-2-enyl]pyridazin-3-one
CID 115576890
4,5-Dibromo-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 115576900
4,5-Dibromo-2-(2-chloroprop-2-enyl)pyridazin-3-one
CID 115576905
4,5-dibromo-2-[(E)-2,3-dichloroprop-2-enyl]pyridazin-3-one
CID 115701744
4,5-Dibromo-2-(2-methylidenebutyl)pyridazin-3-one
CID 115897483
4,5-dichloro-2-[(E)-3-chloro-2-methylprop-2-enyl]pyridazin-3-one
CID 133638348

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one (CID 106439738) is 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one is CC(=CCl)Cn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
The InChIKey is ZXXJVUOPKWWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2ClN2O/c1-5(2-11)4-13-8(14)7(10)6(9)3-12-13/h2-3H,4H2,1H3.
What are the key properties of 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one?
4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(3-chloro-2-methylprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 106439738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).