2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine

C20H17BrFN3O — CID 133274517

IUPAC2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine
SMILESFc1ccc(-c2ccc(N3CCOC(c4ccc(Br)cc4)C3)nn2)cc1
InChIInChI=1S/C20H17BrFN3O/c21-16-5-1-15(2-6-16)19-13-25(11-12-26-19)20-10-9-18(23-24-20)14-3-7-17(22)8-4-14/h1-10,19H,11-13H2
InChIKeyPDLWINSHLJUJQC-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.62
Rot. Bonds3

About 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine

2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine (PubChem CID 133274517) has the molecular formula C20H17BrFN3O and a molecular weight of 414.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine
PubChem CID133274517
Molecular FormulaC20H17BrFN3O
Molecular Weight414.28 g/mol
Exact Mass413.05
IUPAC Name2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine
SMILESFc1ccc(-c2ccc(N3CCOC(c4ccc(Br)cc4)C3)nn2)cc1
InChIInChI=1S/C20H17BrFN3O/c21-16-5-1-15(2-6-16)19-13-25(11-12-26-19)20-10-9-18(23-24-20)14-3-7-17(22)8-4-14/h1-10,19H,11-13H2
InChIKeyPDLWINSHLJUJQC-UHFFFAOYSA-N
XLogP4.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine (CID 133274517) is 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine is Fc1ccc(-c2ccc(N3CCOC(c4ccc(Br)cc4)C3)nn2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine?
The InChIKey is PDLWINSHLJUJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O/c21-16-5-1-15(2-6-16)19-13-25(11-12-26-19)20-10-9-18(23-24-20)14-3-7-17(22)8-4-14/h1-10,19H,11-13H2.
What are the key properties of 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine?
2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine has a molecular weight of 414.28 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 133274517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).