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

C13H12F2N2O3 — CID 171100570

IUPAC4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2nccc(OC(F)F)c2=O)cc1
InChIInChI=1S/C13H12F2N2O3/c1-19-10-4-2-9(3-5-10)8-17-12(18)11(6-7-16-17)20-13(14)15/h2-7,13H,8H2,1H3
InChIKeyBCDZOEBHUXVNBX-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.90
Rot. Bonds5

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

4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 171100570) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID171100570
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Cn2nccc(OC(F)F)c2=O)cc1
InChIInChI=1S/C13H12F2N2O3/c1-19-10-4-2-9(3-5-10)8-17-12(18)11(6-7-16-17)20-13(14)15/h2-7,13H,8H2,1H3
InChIKeyBCDZOEBHUXVNBX-UHFFFAOYSA-N
XLogP1.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one (CID 171100570) is 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is COc1ccc(Cn2nccc(OC(F)F)c2=O)cc1.
What is the InChIKey of 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is BCDZOEBHUXVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-19-10-4-2-9(3-5-10)8-17-12(18)11(6-7-16-17)20-13(14)15/h2-7,13H,8H2,1H3.
What are the key properties of 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one?
4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 282.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 171100570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).