6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one

C17H19FN2O3 — CID 99842273

IUPAC6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1CCO[C@H]1CCCCO1
InChIInChI=1S/C17H19FN2O3/c18-14-6-2-1-5-13(14)15-8-9-16(21)20(19-15)10-12-23-17-7-3-4-11-22-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2/t17-/m0/s1
InChIKeyZQIZGDBLDKBCRH-KRWDZBQOSA-N
MW318.35 g/mol
LogP2.59
Rot. Bonds5

About 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one

6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one (PubChem CID 99842273) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
PubChem CID99842273
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1CCO[C@H]1CCCCO1
InChIInChI=1S/C17H19FN2O3/c18-14-6-2-1-5-13(14)15-8-9-16(21)20(19-15)10-12-23-17-7-3-4-11-22-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2/t17-/m0/s1
InChIKeyZQIZGDBLDKBCRH-KRWDZBQOSA-N
XLogP2.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one?
The IUPAC name of 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one (CID 99842273) is 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one is O=c1ccc(-c2ccccc2F)nn1CCO[C@H]1CCCCO1.
What is the InChIKey of 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one?
The InChIKey is ZQIZGDBLDKBCRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-6-2-1-5-13(14)15-8-9-16(21)20(19-15)10-12-23-17-7-3-4-11-22-17/h1-2,5-6,8-9,17H,3-4,7,10-12H2/t17-/m0/s1.
What are the key properties of 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one?
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one has a molecular weight of 318.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one is sourced from PubChem (CID 99842273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).