6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

C17H12F2N2O — CID 7664368

IUPAC6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2
InChIKeySUSXECIFCBGMQV-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.24
Rot. Bonds3

About 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 7664368) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
PubChem CID7664368
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2
InChIKeySUSXECIFCBGMQV-UHFFFAOYSA-N
XLogP3.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7663425
2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 7658874
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331774
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
2-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]benzoic acid
CID 91259873
2-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-one
CID 59849703
2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one
CID 126809943
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (CID 7664368) is 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccc1F.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is SUSXECIFCBGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2.
What are the key properties of 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 298.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 7664368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).