2-Isopropylpyridine
PubChem CID: 69523
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| Compound Synonyms | 2-Isopropylpyridine, 644-98-4, 2-Isopropyl pyridine, 2-propan-2-ylpyridine, Pyridine, 2-(1-methylethyl)-, 2-(2-Pyridyl)propane, 7IZ3XFD8G4, 2-isopropyl-pyridine, PYRIDINE, 2-ISOPROPYL-, EINECS 211-426-3, MFCD00047438, NSC-42615, 2-(propan-2-yl)pyridine, NSC 42615, 75981-47-4, isopropylpyridine, NSC42615, 2-(Isopropyl)pyridine, 2-(i-C3H7)-pyridine, UNII-7IZ3XFD8G4, 2-(1-Methylethyl)pyridine, SCHEMBL79529, DTXSID10862353, AKOS005166996, CS-W019396, PB21659, AS-33158, SY022766, DB-054674, NS00042185, EN300-79024, Z1198148831, 211-426-3 |
|---|---|
| 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))))))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propan-2-ylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H11N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | PFYPDUUXDADWKC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-isopropylpyridine |
| Esol Class | Very soluble |
| Functional Groups | cnc |
| Compound Name | 2-Isopropylpyridine |
| Exact Mass | 121.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 121.18 |
| 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/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3 |
| Smiles | CC(C)C1=CC=CC=N1 |
| 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 Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699369