(+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
PubChem CID: 261474
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| Compound Synonyms | (R,S)-ANATABINE, 2743-90-0, D,L-Anatabine, 1,2,3,6-Tetrahydro-2,3'-bipyridine, 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine, MFCD00078278, (+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine, (+/-)-Anatabine, (D,L)-Anatabine, (R,S)-Anatabine (Standard), SCHEMBL229516, CHEMBL5185560, SCHEMBL26383447, DTXSID30294036, DTXSID90862230, HY-126047AR, AKOS005256284, FT11435, HY-126047A, SB17373, AC-35717, MS-20126, SY067639, DB-047221, CS-0090566, NS00018307, (+-)-1,2,3,6-tetrahydro-2,3'-bipyridine, (2RS)-1,2,3,6-Tetrahydro-2,3'-bipyridyl ((RS)-Anatabine), 682-533-4 |
|---|---|
| Topological Polar Surface Area | 24.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C10H12N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SOPPBXUYQGUQHE-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 1.0 |
| Compound Name | (+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 160.1 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 160.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7358639999999999 |
| Inchi | InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2 |
| Smiles | C1C=CCNC1C2=CN=CC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients