2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

C18H14ClFN2O — CID 7662570

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN2O/c1-12-5-7-13(8-6-12)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyLKAMBAFQFRRNKU-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.06
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one

2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 7662570) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID7662570
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H14ClFN2O/c1-12-5-7-13(8-6-12)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyLKAMBAFQFRRNKU-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one (CID 7662570) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is LKAMBAFQFRRNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-12-5-7-13(8-6-12)17-9-10-18(23)22(21-17)11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 328.77 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 7662570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).