2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

C12H8F2N2O3 — CID 62019372

IUPAC2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1cc(F)ccc1F
InChIInChI=1S/C12H8F2N2O3/c13-7-1-2-9(14)8(5-7)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18)
InChIKeyOXLRPRCRKLXBCQ-UHFFFAOYSA-N
MW266.20 g/mol
LogP0.70
Rot. Bonds3

About 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62019372) has the molecular formula C12H8F2N2O3 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62019372
Molecular FormulaC12H8F2N2O3
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)c1cc(F)ccc1F
InChIInChI=1S/C12H8F2N2O3/c13-7-1-2-9(14)8(5-7)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18)
InChIKeyOXLRPRCRKLXBCQ-UHFFFAOYSA-N
XLogP0.70
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione 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-(2,5-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 62922686
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206765
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019524
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
3-[2-(2,5-difluorophenyl)-2-oxoethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79370478
1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
1-(2,5-difluorophenyl)-2-indazol-1-ylethanone
CID 62139619
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
4-[2-(2,5-difluorophenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82123258
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62019372) is 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is OXLRPRCRKLXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3/c13-7-1-2-9(14)8(5-7)10(17)6-16-12(19)4-3-11(18)15-16/h1-5H,6H2,(H,15,18).
What are the key properties of 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 266.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).