4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one

C11H8BrClN2O — CID 13187394

IUPAC4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
SMILESCc1cnn(-c2ccc(Cl)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrClN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-8(13)3-5-9/h2-6H,1H3
InChIKeyZJOXUSZQUDMLDX-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.96
Rot. Bonds1

About 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one

4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one (PubChem CID 13187394) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
PubChem CID13187394
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one
SMILESCc1cnn(-c2ccc(Cl)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrClN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-8(13)3-5-9/h2-6H,1H3
InChIKeyZJOXUSZQUDMLDX-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one?
The IUPAC name of 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one (CID 13187394) is 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one is Cc1cnn(-c2ccc(Cl)cc2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one?
The InChIKey is ZJOXUSZQUDMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-7-6-14-15(11(16)10(7)12)9-4-2-8(13)3-5-9/h2-6H,1H3.
What are the key properties of 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one?
4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one has a molecular weight of 299.56 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chlorophenyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 13187394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).