2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one

C20H11F3N2O2 — CID 16749609

IUPAC2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one
SMILESO=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1ccccc1F
InChIInChI=1S/C20H11F3N2O2/c21-12-5-7-18(15(23)11-12)27-19-8-6-16-20(13-3-1-2-4-14(13)22)17(26)9-10-25(16)24-19/h1-11H
InChIKeySWPXGFWJBPCQJS-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.57
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one

2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one (PubChem CID 16749609) has the molecular formula C20H11F3N2O2 and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one
PubChem CID16749609
Molecular FormulaC20H11F3N2O2
Molecular Weight368.31 g/mol
Exact Mass368.08
IUPAC Name2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one
SMILESO=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1ccccc1F
InChIInChI=1S/C20H11F3N2O2/c21-12-5-7-18(15(23)11-12)27-19-8-6-16-20(13-3-1-2-4-14(13)22)17(26)9-10-25(16)24-19/h1-11H
InChIKeySWPXGFWJBPCQJS-UHFFFAOYSA-N
XLogP4.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one (CID 16749609) is 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one is O=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1ccccc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one?
The InChIKey is SWPXGFWJBPCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2O2/c21-12-5-7-18(15(23)11-12)27-19-8-6-16-20(13-3-1-2-4-14(13)22)17(26)9-10-25(16)24-19/h1-11H.
What are the key properties of 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one?
2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one has a molecular weight of 368.31 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-5-(2-fluorophenyl)pyrido[1,2-b]pyridazin-6-one is sourced from PubChem (CID 16749609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).