3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C12H12F2N2O2 — CID 59336068

IUPAC3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)11(14)10(7)13/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyYNIUCEUAAFJFSK-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.83
Rot. Bonds2

About 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 59336068) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID59336068
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2C)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)11(14)10(7)13/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyYNIUCEUAAFJFSK-UHFFFAOYSA-N
XLogP1.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 59336068) is 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2C)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YNIUCEUAAFJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-6-5-9(17)15-16-12(6)7-3-4-8(18-2)11(14)10(7)13/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 254.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 59336068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).