3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

C16H12FN3O — CID 2811496

IUPAC3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccn1
InChIInChI=1S/C16H12FN3O/c17-13-6-4-11(5-7-13)15-10-12(16(21)20-19-15)9-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,20,21)
InChIKeyGZZABAAUMNAWPH-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 2811496) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID2811496
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccn1
InChIInChI=1S/C16H12FN3O/c17-13-6-4-11(5-7-13)15-10-12(16(21)20-19-15)9-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,20,21)
InChIKeyGZZABAAUMNAWPH-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (CID 2811496) is 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is GZZABAAUMNAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-4-11(5-7-13)15-10-12(16(21)20-19-15)9-14-3-1-2-8-18-14/h1-8,10H,9H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 281.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2811496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).