2,6-pyridinedicarboxylic acid | SBID = 1441 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 87.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 120.3 | ||
| Sum Formula: | C7H5NO4 | ||
| M / g/mol: | 167.12 | ||
| Complexity: | 184.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2,6-pyridinedicarboxylic acid
- Preferred Abbreviation: 2,6-Pyridinedicarboxylic acid
- IUPAC Name: pyridine-2,6-dicarboxylic acid
- CAS: 499-83-2
- CID: 10367
- InChiKey: WJJMNDUMQPNECX-UHFFFAOYSA-N
- InChi: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
- CanoSmiles: C1=CC(=NC(=C1)C(=O)O)C(=O)O
- IsoSmiles: C1=CC(=NC(=C1)C(=O)O)C(=O)O
