morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate

C13H14F3N3O4S — CID 160864585

IUPACmorpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate
SMILESC1COCCN1.O=S(=O)(Oc1ccnc2cnccc12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O3S.C4H9NO/c10-9(11,12)18(15,16)17-8-2-4-14-7-5-13-3-1-6(7)8;1-3-6-4-2-5-1/h1-5H;5H,1-4H2
InChIKeySKYABFPIFABOAO-UHFFFAOYSA-N
MW365.33 g/mol
LogP1.46
Rot. Bonds2

About morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate

morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate (PubChem CID 160864585) has the molecular formula C13H14F3N3O4S and a molecular weight of 365.33 g/mol. Its IUPAC name is morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namemorpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate
PubChem CID160864585
Molecular FormulaC13H14F3N3O4S
Molecular Weight365.33 g/mol
Exact Mass365.07
IUPAC Namemorpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate
SMILESC1COCCN1.O=S(=O)(Oc1ccnc2cnccc12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O3S.C4H9NO/c10-9(11,12)18(15,16)17-8-2-4-14-7-5-13-3-1-6(7)8;1-3-6-4-2-5-1/h1-5H;5H,1-4H2
InChIKeySKYABFPIFABOAO-UHFFFAOYSA-N
XLogP1.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate?
The IUPAC name of morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate (CID 160864585) is morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate.
What is the SMILES notation for morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate?
The canonical SMILES for morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate is C1COCCN1.O=S(=O)(Oc1ccnc2cnccc12)C(F)(F)F.
What is the InChIKey of morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate?
The InChIKey is SKYABFPIFABOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O3S.C4H9NO/c10-9(11,12)18(15,16)17-8-2-4-14-7-5-13-3-1-6(7)8;1-3-6-4-2-5-1/h1-5H;5H,1-4H2.
What are the key properties of morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate?
morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate has a molecular weight of 365.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;1,7-naphthyridin-4-yl trifluoromethanesulfonate is sourced from PubChem (CID 160864585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).