2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one

C12H11FN2O2 — CID 129093133

IUPAC2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(-c2ccc(OCF)cc2)n1
InChIInChI=1S/C12H11FN2O2/c1-9-2-7-12(16)15(14-9)10-3-5-11(6-4-10)17-8-13/h2-7H,8H2,1H3
InChIKeyCCOPVCDQSZYVIE-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.85
Rot. Bonds3

About 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one

2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one (PubChem CID 129093133) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one
PubChem CID129093133
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(-c2ccc(OCF)cc2)n1
InChIInChI=1S/C12H11FN2O2/c1-9-2-7-12(16)15(14-9)10-3-5-11(6-4-10)17-8-13/h2-7H,8H2,1H3
InChIKeyCCOPVCDQSZYVIE-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one (CID 129093133) is 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(-c2ccc(OCF)cc2)n1.
What is the InChIKey of 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one?
The InChIKey is CCOPVCDQSZYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-9-2-7-12(16)15(14-9)10-3-5-11(6-4-10)17-8-13/h2-7H,8H2,1H3.
What are the key properties of 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one?
2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethoxy)phenyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 129093133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).