3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C12H13FN2O2 — CID 59336055

IUPAC3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)cc1F
InChIInChI=1S/C12H13FN2O2/c1-7-5-11(16)14-15-12(7)8-3-4-10(17-2)9(13)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,16)
InChIKeyFTDOKPHOAYVZPE-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.69
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 59336055) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID59336055
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)cc1F
InChIInChI=1S/C12H13FN2O2/c1-7-5-11(16)14-15-12(7)8-3-4-10(17-2)9(13)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,16)
InChIKeyFTDOKPHOAYVZPE-UHFFFAOYSA-N
XLogP1.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 59336055) is 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2C)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is FTDOKPHOAYVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7-5-11(16)14-15-12(7)8-3-4-10(17-2)9(13)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,16).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 236.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 59336055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).