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

C18H14F2N2O2 — CID 94813590

IUPAC6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-14-6-4-12(5-7-14)16-8-9-18(24)22(21-16)11-17(23)13-2-1-3-15(20)10-13/h1-10,17,23H,11H2/t17-/m1/s1
InChIKeyXOKTTXJMEHQAIJ-QGZVFWFLSA-N
MW328.32 g/mol
LogP2.92
Rot. Bonds4

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

6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one (PubChem CID 94813590) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
PubChem CID94813590
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)c1cccc(F)c1
InChIInChI=1S/C18H14F2N2O2/c19-14-6-4-12(5-7-14)16-8-9-18(24)22(21-16)11-17(23)13-2-1-3-15(20)10-13/h1-10,17,23H,11H2/t17-/m1/s1
InChIKeyXOKTTXJMEHQAIJ-QGZVFWFLSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 56829224
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 111476768
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-phenylpyridazin-3-one
CID 110905256
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 111476721
3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
CID 19587106
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 60612567

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one (CID 94813590) is 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1C[C@@H](O)c1cccc(F)c1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The InChIKey is XOKTTXJMEHQAIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-14-6-4-12(5-7-14)16-8-9-18(24)22(21-16)11-17(23)13-2-1-3-15(20)10-13/h1-10,17,23H,11H2/t17-/m1/s1.
What are the key properties of 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one has a molecular weight of 328.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one is sourced from PubChem (CID 94813590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).