2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one

C12H11ClN2O — CID 2800005

IUPAC2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O/c1-9-2-7-12(16)15(14-9)8-10-3-5-11(13)6-4-10/h2-7H,8H2,1H3
InChIKeyJCDUVAYRRREIDS-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.25
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one

2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one (PubChem CID 2800005) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one
PubChem CID2800005
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O/c1-9-2-7-12(16)15(14-9)8-10-3-5-11(13)6-4-10/h2-7H,8H2,1H3
InChIKeyJCDUVAYRRREIDS-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one (CID 2800005) is 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is JCDUVAYRRREIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-2-7-12(16)15(14-9)8-10-3-5-11(13)6-4-10/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one?
2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 234.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 2800005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).