(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one

C13H14BrFN2O2 — CID 129271662

IUPAC(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one
SMILESCCN1C(=O)C2(F)COCC[C@@H]2c2cc(Br)cnc21
InChIInChI=1S/C13H14BrFN2O2/c1-2-17-11-9(5-8(14)6-16-11)10-3-4-19-7-13(10,15)12(17)18/h5-6,10H,2-4,7H2,1H3/t10-,13?/m1/s1
InChIKeyNSAWPUSAGHNZRV-VUUHIHSGSA-N
MW329.17 g/mol
LogP2.42
Rot. Bonds1

About (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one

(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one (PubChem CID 129271662) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one
PubChem CID129271662
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one
SMILESCCN1C(=O)C2(F)COCC[C@@H]2c2cc(Br)cnc21
InChIInChI=1S/C13H14BrFN2O2/c1-2-17-11-9(5-8(14)6-16-11)10-3-4-19-7-13(10,15)12(17)18/h5-6,10H,2-4,7H2,1H3/t10-,13?/m1/s1
InChIKeyNSAWPUSAGHNZRV-VUUHIHSGSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one?
The IUPAC name of (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one (CID 129271662) is (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one.
What is the SMILES notation for (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one?
The canonical SMILES for (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one is CCN1C(=O)C2(F)COCC[C@@H]2c2cc(Br)cnc21.
What is the InChIKey of (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one?
The InChIKey is NSAWPUSAGHNZRV-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-2-17-11-9(5-8(14)6-16-11)10-3-4-19-7-13(10,15)12(17)18/h5-6,10H,2-4,7H2,1H3/t10-,13?/m1/s1.
What are the key properties of (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one?
(10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one has a molecular weight of 329.17 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-9-bromo-6-ethyl-4a-fluoro-1,2,4,10b-tetrahydropyrano[3,4-c][1,8]naphthyridin-5-one is sourced from PubChem (CID 129271662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).