4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine

C15H15ClFN3O — CID 133330542

IUPAC4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCC1CN(c2cncc(Cl)n2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H15ClFN3O/c1-10-8-20(15-7-18-6-14(16)19-15)9-13(21-10)11-2-4-12(17)5-3-11/h2-7,10,13H,8-9H2,1H3
InChIKeyVRZQRXGKNJBIRZ-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.24
Rot. Bonds2

About 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine

4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine (PubChem CID 133330542) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
PubChem CID133330542
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
SMILESCC1CN(c2cncc(Cl)n2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C15H15ClFN3O/c1-10-8-20(15-7-18-6-14(16)19-15)9-13(21-10)11-2-4-12(17)5-3-11/h2-7,10,13H,8-9H2,1H3
InChIKeyVRZQRXGKNJBIRZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The IUPAC name of 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine (CID 133330542) is 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine.
What is the SMILES notation for 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The canonical SMILES for 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine is CC1CN(c2cncc(Cl)n2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
The InChIKey is VRZQRXGKNJBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-10-8-20(15-7-18-6-14(16)19-15)9-13(21-10)11-2-4-12(17)5-3-11/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine?
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine has a molecular weight of 307.76 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine is sourced from PubChem (CID 133330542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).