3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
20 20 0 1 0 0 0 0 0999 V2000
-2.3623 0.9926 0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 -0.8147 0.0204 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1013 -2.2784 0.2729 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7649 -0.1191 0.1902 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2924 0.0853 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4442 -0.2907 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6106 -0.9648 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2122 1.3722 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5849 1.5669 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4042 0.4506 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9895 -0.9859 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3250 0.6093 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5214 -0.4439 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0336 -1.1414 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4415 2.2385 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0007 2.5607 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4820 0.5486 -0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3164 0.8168 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7846 -2.5079 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7918 -3.0185 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 18 1 0 0 0 0
2 7 1 0 0 0 0
2 10 2 0 0 0 0
3 7 1 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
5 7 2 0 0 0 0
5 8 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
8 9 2 0 0 0 0
8 15 1 0 0 0 0
9 10 1 0 0 0 0
9 16 1 0 0 0 0
10 17 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S)-1-(2-aminopyridin-3-yl)ethanol
4.2 InChI
InChI=1S/C7H10N2O/c1-5(10)6-3-2-4-9-7(6)8/h2-5,10H,1H3,(H2,8,9)/t5-/m0/s1
4.3 InChIKey
SHHIJGHJYYFDQH-YFKPBYRVSA-N
4.4 Canonical SMILES
CC(C1=C(N=CC=C1)N)O
4.5 Isomeric SMILES
C[C@@H](C1=C(N=CC=C1)N)O
4.6 SDF file
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
5.4 Infrared spectroscopy (IR)
5.5 Ultraviolet/visible spectroscopy (UV/Vis)