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

C12H11FN2O — CID 2800006

IUPAC2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-9-2-7-12(16)15(14-9)8-10-3-5-11(13)6-4-10/h2-7H,8H2,1H3
InChIKeyHSNLIVRSMVOMMY-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.74
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one (PubChem CID 2800006) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one
PubChem CID2800006
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-9-2-7-12(16)15(14-9)8-10-3-5-11(13)6-4-10/h2-7H,8H2,1H3
InChIKeyHSNLIVRSMVOMMY-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one (CID 2800006) is 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is HSNLIVRSMVOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/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-fluorophenyl)methyl]-6-methylpyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 218.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 2800006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).