2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one

C12H10F2N2O3 — CID 67569481

IUPAC2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one
SMILESCOc1cc(-n2ncccc2=O)ccc1OC(F)F
InChIInChI=1S/C12H10F2N2O3/c1-18-10-7-8(4-5-9(10)19-12(13)14)16-11(17)3-2-6-15-16/h2-7,12H,1H3
InChIKeyAPUMDXUBBMOSGH-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one

2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one (PubChem CID 67569481) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one
PubChem CID67569481
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one
SMILESCOc1cc(-n2ncccc2=O)ccc1OC(F)F
InChIInChI=1S/C12H10F2N2O3/c1-18-10-7-8(4-5-9(10)19-12(13)14)16-11(17)3-2-6-15-16/h2-7,12H,1H3
InChIKeyAPUMDXUBBMOSGH-UHFFFAOYSA-N
XLogP1.84
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one?
The IUPAC name of 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one (CID 67569481) is 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one is COc1cc(-n2ncccc2=O)ccc1OC(F)F.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one?
The InChIKey is APUMDXUBBMOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-18-10-7-8(4-5-9(10)19-12(13)14)16-11(17)3-2-6-15-16/h2-7,12H,1H3.
What are the key properties of 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one?
2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one has a molecular weight of 268.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-one is sourced from PubChem (CID 67569481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).