(7S)-2-(2-Amino-4-Pyrimidinyl)-7-(2-Fluoroethyl)-1,5,6,7-Tetrahydro-4H-Pyrrolo[3,2-C]Pyridin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C13H14FN5O
IUPAC Name (7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Molecular Mass 275.282 g·mol−1
Heat of Formation -111.5 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 308.92 Å 3
Surface Area 289.51 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-2-(2-amino-4-pyrimidinyl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
  • (7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
InChIKey LCBAQTCTQXHTJG-ZETCQYMHSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N