2-Vinylpyridine
PubChem CID: 7521
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| Compound Synonyms | 2-VINYLPYRIDINE, 100-69-6, 2-Ethenylpyridine, Pyridine, 2-ethenyl-, Pyridine, 2-vinyl-, Pyridine, ethenyl-, Vinylpyridine, 2-Vinyl pyridine, alpha-Vinylpyridine, 1337-81-1, .alpha.-Vinylpyridine, CCRIS 5238, DT4UV4NNKX, UNII-DT4UV4NNKX, HSDB 1508, 2-pyridylethylene, EINECS 202-879-8, MFCD00006355, NSC 18255, DTXSID1026667, AI3-24116, NSC-18255, DTXCID406667, 2-VINYLPYRIDINE [HSDB], 27476-03-5, CHEMBL2134875, EC 202-879-8, NSC18255, NSC118993, NSC 118993, 2-Vinylpyridine (stabilized with 0.1per cent 4-tert-butylcatechol), vinyl pyridine, 2-vinylpyridin, 2-Vinylpyridine (stabilized with 0.1% 4-tert-butylcatechol), 2-vinylpiridine, 2Ethenylpyridine, Pyridine, dimer, vinylidenepyridine, alphaVinylpyridine, UNII-JR931X5841, 2-vinyl-pyridine, Pyridine,ethenyl-, Pyridine, 2vinyl, Pyridine, 2ethenyl, 2-(ethenyl)pyridine, 2-Vinylpyridine, 97%, SCHEMBL15193, MLS002454369, Pyridine, 2-ethenyl-, dimer, SCHEMBL12305235, STR01590, Tox21_200035, 2-Ethenylpyridine (2-Vinylpyridine), BBL027578, BDBM50622784, STK802315, AKOS005622542, FV45430, JR931X5841, NSC-118993, NCGC00091100-01, NCGC00091100-02, NCGC00257589-01, CAS-100-69-6, PD065571, SMR001261681, DB-015978, NS00005866, V0024, 2-VINYLPYRIDINE (STABILIZED WITH TBC), EN300-21363, A800261, Q4596922, F0001-0024, Z104495554, 2-Ethenyl-pyridin, 2-Pyridylethylene, 2-vinyl-pyridin, Alpha-Vinylpyridine, , 202-879-8 |
|---|---|
| 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 | C=Ccccccn6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | KGIGUEBEKRSTEW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-vinyl-pyridine, 2-vinylpyridine, pyridine, 2 vinyl |
| Esol Class | Very soluble |
| Functional Groups | cC=C, cnc |
| Compound Name | 2-Vinylpyridine |
| Exact Mass | 105.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 105.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 105.14 |
| 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/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2 |
| Smiles | C=CC1=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 Jasminum Grandiflorum (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Jasminum Odoratissimum (Plant) Rel Props:Reference:ISBN:9788185042084 - 3. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279