2-Hydrazino-nicotinic acid
PubChem CID: 585323
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| Compound Synonyms | 2-Hydrazino-nicotinic acid, 462068-09-3, 2-Hydrazinonicotinic acid, 2-hydrazinylnicotinic acid, 2-hydrazinylpyridine-3-carboxylic acid, 435342-14-6, Hydrazinonicotinic acid, 3-Pyridinecarboxylicacid,2-hydrazino-(9CI), 2-hydrazinylnicotinicacid, Oprea1_598767, Oprea1_695192, SCHEMBL188820, HMS1674P07, GS0009, AKOS000603645, SB76451, DB-112063, CS-0327234, G10048, F3111-0406, 3-Pyridinecarboxylicacid, 2-hydrazinyl-, hydrochloride (1:1) |
|---|---|
| Topological Polar Surface Area | 88.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydrazinylpyridine-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C6H7N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IZCVLYJVVCABBV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.537 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.036 |
| Compound Name | 2-Hydrazino-nicotinic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 153.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.054 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 153.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.06028943636363632 |
| Inchi | InChI=1S/C6H7N3O2/c7-9-5-4(6(10)11)2-1-3-8-5/h1-3H,7H2,(H,8,9)(H,10,11) |
| Smiles | C1=CC(=C(N=C1)NN)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Biondii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Denudata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Kobus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Magnolia Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Magnolia Sprengeri (Plant) Rel Props:Source_db:cmaup_ingredients