2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one

C13H12F2N2O3 — CID 101125632

IUPAC2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one
SMILESCOc1cc(=O)n(Cc2ccc(F)c(F)c2)nc1OC
InChIInChI=1S/C13H12F2N2O3/c1-19-11-6-12(18)17(16-13(11)20-2)7-8-3-4-9(14)10(15)5-8/h3-6H,7H2,1-2H3
InChIKeyVIHBOTZSZRQUIL-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.59
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one

2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one (PubChem CID 101125632) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one
PubChem CID101125632
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one
SMILESCOc1cc(=O)n(Cc2ccc(F)c(F)c2)nc1OC
InChIInChI=1S/C13H12F2N2O3/c1-19-11-6-12(18)17(16-13(11)20-2)7-8-3-4-9(14)10(15)5-8/h3-6H,7H2,1-2H3
InChIKeyVIHBOTZSZRQUIL-UHFFFAOYSA-N
XLogP1.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one
CID 101125640
2-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253718
5-(cyclopropylamino)-2-[(3-fluoro-4-methoxyphenyl)methyl]pyridazin-3-one
CID 103219917
5,6-dimethoxy-2-methylpyridazin-3-one
CID 10607232
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 82920650
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18098618
methyl 2-[(3,4-difluorophenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 70929032
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(3,4-difluorophenyl)methyl]-7-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95920431
2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-5-methyl-4-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 154394710

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one (CID 101125632) is 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one is COc1cc(=O)n(Cc2ccc(F)c(F)c2)nc1OC.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one?
The InChIKey is VIHBOTZSZRQUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-19-11-6-12(18)17(16-13(11)20-2)7-8-3-4-9(14)10(15)5-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one?
2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one has a molecular weight of 282.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-5,6-dimethoxypyridazin-3-one is sourced from PubChem (CID 101125632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).