2-Phenylpyridine
PubChem CID: 13887
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-PHENYLPYRIDINE, 1008-89-5, Pyridine, 2-phenyl-, o-Phenylpyridine, 2-phenyl-pyridine, 2-(Phenyl-2-D)pyridine, EINECS 213-763-1, MFCD00006280, NSC 89291, UNII-2Y6S09838Q, NSC-89291, 2Y6S09838Q, DTXSID6074417, 372492-47-2, phenylpyridine, oPhenylpyridine, phenyl pyridine, 2-phenyl pyridine, Pyridine, 2phenyl, NSC89291, 2-Phenylpyridine, 98%, SCHEMBL35754, CHEMBL1193163, DTXCID6032560, MFCD31699954, AKOS005257841, AC-5097, CS-W007468, FP33722, AS-14490, BP-10684, SY017662, SY246291, DB-006211, NS00023005, P1039, EN300-105801, O10850, Q18205048, Z1255464971, 213-763-1 |
|---|---|
| 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 | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | cccccc6))cccccn6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | 2-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 2-phenylpyridine is slightly soluble (in water) and a strong basic compound (based on its pKa). 2-phenylpyridine can be found in sweet orange and tea, which makes 2-phenylpyridine a potential biomarker for the consumption of these food products. The compound is prepared by the reaction of phenyl lithium with pyridine: C6H5Li + C5H5N → C6H5-C5H4N + LiH The reaction of iridium trichloride with 2-phenylpyridine proceeds via cyclometallation to give the chloride-bridged complex: 4 C6H5-C5H4N + 2 IrCl3(H2O)3 → Ir2Cl2(C6H4-C5H4N)4 + 4 HCl This complex can be converted to the pictured tris(cyclometallated) derivative . |
| Scaffold Graph Node Level | C1CCC(C2CCCCN2)CC1 |
| Classyfire Subclass | Phenylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H9N |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccn2)cc1 |
| Inchi Key | VQGHOUODWALEFC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-Phenylpyridine, O-phenylpyridine, Pyridine, 2-phenyl-, 2-phenyl-pyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Phenylpyridine |
| Exact Mass | 155.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 155.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 155.2 |
| 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/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H |
| Smiles | C1=CC=C(C=C1)C2=CC=CC=N2 |
| 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 Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all