2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one

C12H11FN2O2 — CID 107143258

IUPAC2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7,11,16H,8H2
InChIKeyFFDRYKXOQCHFLZ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.12
Rot. Bonds3

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

2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one (PubChem CID 107143258) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
PubChem CID107143258
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
SMILESO=c1cccnn1CC(O)c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7,11,16H,8H2
InChIKeyFFDRYKXOQCHFLZ-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 115032492
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2-(2-hydroxy-2-naphthalen-2-ylethyl)pyridazin-3-one
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2-[5-(2-chlorophenyl)-1,2,4-triazol-1-yl]-1-(2-fluorophenyl)ethanol
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2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
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(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
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2-(fluoromethyl)pyridazin-3-one
CID 140988504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one (CID 107143258) is 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one is O=c1cccnn1CC(O)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
The InChIKey is FFDRYKXOQCHFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-5-2-1-4-9(10)11(16)8-15-12(17)6-3-7-14-15/h1-7,11,16H,8H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one?
2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one is sourced from PubChem (CID 107143258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).