Formula |
C21H17F3N4 |
IUPAC Name |
5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine |
Molecular Mass |
382.382 g·mol−1 |
Heat of Formation |
-240.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.45 ± 1.08 D |
Volume |
432.81 Å 3 |
Surface Area |
388.66 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-(1h-pyrrolo[5,4-b]pyridin-3-ylmethyl)-n-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinamine
- [5-(1h-pyrrolo[5,4-b]pyridin-3-ylmethyl)-2-pyridyl]-[4-(trifluoromethyl)benzyl]amine
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InChIKey |
NODCQQSEMCESEC-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
F
N
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