4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one

C11H8Cl2N2O — CID 2774757

IUPAC4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyOWPCMQKRJFNLHF-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.85
Rot. Bonds1

About 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one

4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 2774757) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one
PubChem CID2774757
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3
InChIKeyOWPCMQKRJFNLHF-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one (CID 2774757) is 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is OWPCMQKRJFNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-2-4-8(5-3-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3.
What are the key properties of 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one?
4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 255.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 2774757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).