3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
24 25 0 0 0 0 0 0 0999 V2000
1.3301 1.1413 0.2956 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 -1.1413 0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8526 0.0711 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8526 -0.0711 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 -0.0234 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 0.0234 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3974 -1.1936 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3974 1.1936 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7875 -1.1665 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7875 1.1665 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4497 0.0131 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4496 -0.0131 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6819 1.1292 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6819 -1.1292 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8877 -2.1153 -0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8877 2.1154 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3439 -2.0692 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3439 2.0692 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1404 2.0791 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1404 -2.0790 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3987 -0.7528 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3199 0.9362 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3988 0.7523 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3198 -0.9366 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 13 1 0 0 0 0
2 6 2 0 0 0 0
2 14 1 0 0 0 0
3 11 1 0 0 0 0
3 21 1 0 0 0 0
3 22 1 0 0 0 0
4 12 1 0 0 0 0
4 23 1 0 0 0 0
4 24 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
7 9 2 0 0 0 0
7 15 1 0 0 0 0
8 10 2 0 0 0 0
8 16 1 0 0 0 0
9 11 1 0 0 0 0
9 17 1 0 0 0 0
10 12 1 0 0 0 0
10 18 1 0 0 0 0
11 13 2 0 0 0 0
12 14 2 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
6-(5-aminopyridin-2-yl)pyridin-3-amine
4.2 InChI
InChI=1S/C10H10N4/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H,11-12H2
4.3 InChIKey
QEIRCDAYPQFYBI-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CC(=NC=C1N)C2=NC=C(C=C2)N
4.5 Isomeric SMILES
-
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)