3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one

C12H10F2N2O3 — CID 172780579

IUPAC3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
SMILESCOc1cc(OC(F)F)ccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10F2N2O3/c1-18-10-6-7(19-12(13)14)2-3-8(10)9-4-5-11(17)16-15-9/h2-6,12H,1H3,(H,16,17)
InChIKeyOEUKDJGXKPQVQT-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.05
Rot. Bonds4

About 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one

3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one (PubChem CID 172780579) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
PubChem CID172780579
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
SMILESCOc1cc(OC(F)F)ccc1-c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10F2N2O3/c1-18-10-6-7(19-12(13)14)2-3-8(10)9-4-5-11(17)16-15-9/h2-6,12H,1H3,(H,16,17)
InChIKeyOEUKDJGXKPQVQT-UHFFFAOYSA-N
XLogP2.05
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
CID 82446236
2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide
CID 167934307
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
2-bromo-1-[4-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134619118
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
3-[7-methoxy-1-(methoxymethyl)-2-(trifluoromethyl)benzimidazol-4-yl]-1H-pyridazin-6-one
CID 59376526
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710701

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one (CID 172780579) is 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one is COc1cc(OC(F)F)ccc1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one?
The InChIKey is OEUKDJGXKPQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-18-10-6-7(19-12(13)14)2-3-8(10)9-4-5-11(17)16-15-9/h2-6,12H,1H3,(H,16,17).
What are the key properties of 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one?
3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one has a molecular weight of 268.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 172780579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).