2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one

C13H10F2N2O2 — CID 55157225

IUPAC2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyMBSDINXFLFUHHP-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.71
Rot. Bonds3

About 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 55157225) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID55157225
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyMBSDINXFLFUHHP-UHFFFAOYSA-N
XLogP1.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dichloro-2-[2-(4-ethylphenyl)-2-oxoethyl]pyridazin-3-one
CID 2471413
(3,4-Difluoro-phenyl)-(3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-methanone
CID 10780550
N-[3-(2,6-difluorophenyl)-2-oxopropyl]-N-ethyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 76328339
N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 599759
2-benzyl-6-[(E)-3-oxo-3-phenylprop-1-enyl]pyridazin-3-one
CID 44455546
2-methyl-6-[(E)-3-oxo-3-phenylprop-1-enyl]pyridazin-3-one
CID 44455607
2-methyl-4-[(E)-3-oxo-3-phenylprop-1-enyl]pyridazin-3-one
CID 44455637
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 45827781
2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3(2H)-one
CID 51044548
6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3(2H)-one
CID 51044803
6-Methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 76308318
4,5-Dichloro-2-phenacylpyridazin-3-one
CID 2701070

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one (CID 55157225) is 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is MBSDINXFLFUHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 264.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 55157225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).