Pyridine, 2-methyl-5-vinyl
PubChem CID: 8817
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| Compound Synonyms | 2-Methyl-5-vinylpyridine, 140-76-1, 5-Ethenyl-2-methylpyridine, Pyridine, 5-ethenyl-2-methyl-, 2-Picoline, 5-vinyl-, Pyridine, 2-methyl-5-vinyl-, 2-Methyl-5-vinyl-pyridine, 5-Vinyl-2-picoline, 2-methyl-5-vinyl pyridine, 2-MVP, HSDB 6325, EINECS 205-432-5, PYRIDINE, 2-METHYL-5-VINYL, BRN 0106229, 34ET764YF8, MFCD01691732, DTXSID2059699, 5-20-06-00218 (Beilstein Handbook Reference), PYRIDINE, 2-METHYL-5-VINYL [HSDB], 5-ethenyl-2-methyl-pyridine, UNII-34ET764YF8, 2Picoline, 5vinyl, 2Methyl5vinylpyridine, 5Ethenyl2methylpyridine, 2,5-Methylvinylpyridine, Pyridine, 2methyl5vinyl, 2-Methyl-5-vinylpridine, 6-methyl-3-vinylpyridine, Pyridine, 5ethenyl2methyl, SCHEMBL36005, MVP, DTXCID7034545, VJOWMORERYNYON-UHFFFAOYSA-, 2-METHYL-5-ETHENYLPYRIDINE, AKOS006242097, AC-1494, GS-6385, PB17233, DB-028156, CS-0050497, NS00024563, EN300-223633, Q27256361, InChI=1/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3, 205-432-5 |
|---|---|
| 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=Cccccnc6))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Methylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 98.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-2-methylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9N |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | VJOWMORERYNYON-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-methyl-5-(1-methyl-ethenyl)-pyridine |
| Esol Class | Soluble |
| Functional Groups | cC=C, cnc |
| Compound Name | Pyridine, 2-methyl-5-vinyl |
| Exact Mass | 119.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 119.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 119.16 |
| 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/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3 |
| Smiles | CC1=NC=C(C=C1)C=C |
| 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 Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279