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

C15H11FN2O2 — CID 2810106

IUPAC3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccco1
InChIInChI=1S/C15H11FN2O2/c16-12-5-3-10(4-6-12)14-9-11(15(19)18-17-14)8-13-2-1-7-20-13/h1-7,9H,8H2,(H,18,19)
InChIKeyREPYHBPZXKEDTP-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.76
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 2810106) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID2810106
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccco1
InChIInChI=1S/C15H11FN2O2/c16-12-5-3-10(4-6-12)14-9-11(15(19)18-17-14)8-13-2-1-7-20-13/h1-7,9H,8H2,(H,18,19)
InChIKeyREPYHBPZXKEDTP-UHFFFAOYSA-N
XLogP2.76
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.76
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-(furan-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one (CID 2810106) is 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccco1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is REPYHBPZXKEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-5-3-10(4-6-12)14-9-11(15(19)18-17-14)8-13-2-1-7-20-13/h1-7,9H,8H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one?
3-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 270.26 g/mol, XLogP of 2.76, 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-(furan-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2810106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).