3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one

C11H9ClN2O — CID 14666394

IUPAC3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15)
InChIKeyKDXXAPYXMQBMHR-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one

3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one (PubChem CID 14666394) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
PubChem CID14666394
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
SMILESCc1cc(=O)[nH]nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15)
InChIKeyKDXXAPYXMQBMHR-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one (CID 14666394) is 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one is Cc1cc(=O)[nH]nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is KDXXAPYXMQBMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,15).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one?
3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 14666394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).