4-(2-pyridyl)aniline | SBID = 1590 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 38.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 139.5 | ||
| Sum Formula: | C11H10N2 | ||
| M / g/mol: | 170.21 | ||
| Complexity: | 150.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: 4-(2-pyridyl)aniline
- Preferred Abbreviation: 4-(2-pyridyl)aniline
- IUPAC Name: 4-pyridin-2-ylaniline
- CAS: 18471-73-3
- CID: 459518
- InChiKey: BXYRAPNURYRQSP-UHFFFAOYSA-N
- InChi: InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2
- CanoSmiles: C1=CC=NC(=C1)C2=CC=C(C=C2)N
- IsoSmiles: C1=CC=NC(=C1)C2=CC=C(C=C2)N
