2,6-Diethylpyridine
PubChem CID: 136745
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| Compound Synonyms | 2,6-Diethylpyridine, 935-28-4, Pyridine, 2,6-diethyl-, 2,6-Diethyl-pyridine, MFCD00049215, 2,6-diethyl pyridine, SCHEMBL45869, 2 pound not6-Diethylpyridine, 2,6-(C2H5)2-pyridine, DTXSID50239449, AKOS006272641, CS-W021526, SB52849, DS-18574, SY105459, DB-011273, NS00113854 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCcccccn6)CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-diethylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | WHTDCOSHHMXZNE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,6-diethylpyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2,6-Diethylpyridine |
| Exact Mass | 135.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 135.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H13N/c1-3-8-6-5-7-9(4-2)10-8/h5-7H,3-4H2,1-2H3 |
| Smiles | CCC1=NC(=CC=C1)CC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Nigra (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1410452