3-Methyl-2-phenylpyridine
PubChem CID: 66302
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| Compound Synonyms | 3-Methyl-2-phenylpyridine, 10273-90-2, Pyridine, 3-methyl-2-phenyl-, 3-Picoline, 2-phenyl-, OIY9I0GL3Z, EINECS 233-619-1, MFCD00006283, NSC 26784, NSC-26784, 3-methyl-2-phenyl-pyridine, DTXSID50145475, 2-Phenyl-beta-picoline, 2-Phenyl-3-methyl-pyridine, NSC26784, UNII-OIY9I0GL3Z, SCHEMBL64623, DTXCID1067966, BJATUPPYBZHEIO-UHFFFAOYSA-, 3-Methyl-2-phenylpyridine, 98%, AKOS015841925, CS-W017719, SB52471, DS-10693, SY019480, M0932, NS00023175, InChI=1/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3, 233-619-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | Cccccnc6cccccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCN2)CC1 |
| Classyfire Subclass | Phenylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-2-phenylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H11N |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccn2)cc1 |
| Inchi Key | BJATUPPYBZHEIO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-(4-methyl-hexyl)-pyridine, 3-(4-methyl-phenyl)-pyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 3-Methyl-2-phenylpyridine |
| Exact Mass | 169.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 169.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 169.22 |
| 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/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3 |
| Smiles | CC1=C(N=CC=C1)C2=CC=CC=C2 |
| 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