2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one

C13H13FN2O2 — CID 59652003

IUPAC2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1
InChIInChI=1S/C13H13FN2O2/c1-18-11-4-2-10(3-5-11)12-6-7-13(17)16(15-12)9-8-14/h2-7H,8-9H2,1H3
InChIKeyBDPCXLJURBYOKN-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one

2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 59652003) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID59652003
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1
InChIInChI=1S/C13H13FN2O2/c1-18-11-4-2-10(3-5-11)12-6-7-13(17)16(15-12)9-8-14/h2-7H,8-9H2,1H3
InChIKeyBDPCXLJURBYOKN-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one (CID 59652003) is 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CCF)n2)cc1.
What is the InChIKey of 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is BDPCXLJURBYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-18-11-4-2-10(3-5-11)12-6-7-13(17)16(15-12)9-8-14/h2-7H,8-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one?
2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 248.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 59652003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).