2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one

C19H15F3N2O3 — CID 56829224

IUPAC2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F3N2O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)13-3-7-15(8-4-13)27-19(21)22/h1-10,17,19,25H,11H2
InChIKeyKYRNIBZNRCQEBG-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.38
Rot. Bonds6

About 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 56829224) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID56829224
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H15F3N2O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)13-3-7-15(8-4-13)27-19(21)22/h1-10,17,19,25H,11H2
InChIKeyKYRNIBZNRCQEBG-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 60612567
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889207
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
CID 110905256
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
2-but-2-ynyl-6-(4-fluorophenyl)pyridazin-3-one
CID 126809943
3-[(2S)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrido[2,3-d]pyrimidin-4-one
CID 94797377
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 56829224) is 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is KYRNIBZNRCQEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-14-5-1-12(2-6-14)16-9-10-18(26)24(23-16)11-17(25)13-3-7-15(8-4-13)27-19(21)22/h1-10,17,19,25H,11H2.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 376.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 56829224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).