(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate

C10H9F3N2O3 — CID 140963621

IUPAC(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c2c(ccc1=O)CCNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(17)18-15-7-5-14-4-3-6(7)1-2-8(15)16/h1-2,14H,3-5H2
InChIKeySPROZMGNXVBPFR-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.01
Rot. Bonds1

About (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate

(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 140963621) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate
PubChem CID140963621
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate
SMILESO=C(On1c2c(ccc1=O)CCNC2)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(17)18-15-7-5-14-4-3-6(7)1-2-8(15)16/h1-2,14H,3-5H2
InChIKeySPROZMGNXVBPFR-UHFFFAOYSA-N
XLogP0.01
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate (CID 140963621) is (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate is O=C(On1c2c(ccc1=O)CCNC2)C(F)(F)F.
What is the InChIKey of (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is SPROZMGNXVBPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)9(17)18-15-7-5-14-4-3-6(7)1-2-8(15)16/h1-2,14H,3-5H2.
What are the key properties of (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate?
(2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 262.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 140963621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).