3. Structures
3.1 2D structure
3.2 3D structure
-1
-2
-3
18 19 0 0 0 0 0 0 0999 V2000
-0.6066 1.6268 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8316 0.3981 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4753 -0.6920 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4243 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0812 -1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1493 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3406 -1.4930 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8604 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 1.1968 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6039 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2679 -2.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2240 -2.5722 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6485 1.8662 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 2.2599 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4916 -1.5534 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2416 -0.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6677 -1.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
2 10 2 0 0 0 0
2 11 1 0 0 0 0
3 7 1 0 0 0 0
3 17 1 0 0 0 0
3 18 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
4 8 1 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 12 1 0 0 0 0
7 9 2 0 0 0 0
8 11 2 0 0 0 0
8 13 1 0 0 0 0
9 14 1 0 0 0 0
10 15 1 0 0 0 0
11 16 1 0 0 0 0
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1,7-naphthyridin-3-amine
4.2 InChI
InChI=1S/C8H7N3/c9-7-3-6-1-2-10-5-8(6)11-4-7/h1-5H,9H2
4.3 InChIKey
GXCHLHFGRITRCJ-UHFFFAOYSA-N
4.4 Canonical SMILES
C1=CN=CC2=NC=C(C=C21)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)