2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one

C13H10F2N2O2 — CID 62922686

IUPAC2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)10-6-9(14)3-4-11(10)15/h2-6H,7H2,1H3
InChIKeyTUSSTODRRBIXES-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.71
Rot. Bonds3

About 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 62922686) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID62922686
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)10-6-9(14)3-4-11(10)15/h2-6H,7H2,1H3
InChIKeyTUSSTODRRBIXES-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

Analyze 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225
2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922672
3-[2-(2,5-difluorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79370478
2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019372
4-fluoro-2-[(3-methyl-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 64765062
2-[(2-amino-4-fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 64768629
6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 78949436
1-(2,5-difluorophenyl)-2-indazol-1-ylethanone
CID 62139619
1-(2,5-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylethanone
CID 62410882
2-[[2-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyridazin-3-one
CID 63289759
2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922670
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one (CID 62922686) is 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is TUSSTODRRBIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-8-2-5-13(19)17(16-8)7-12(18)10-6-9(14)3-4-11(10)15/h2-6H,7H2,1H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-(2,5-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-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62922686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).