4-Phenylpyridine
PubChem CID: 13651
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| Compound Synonyms | 4-PHENYLPYRIDINE, 939-23-1, Pyridine, 4-phenyl-, p-Phenylpyridine, 4-Phenyl-pyridine, MFCD00006420, Pyridine, phenyl-, EINECS 213-357-4, NSC 70375, NSC 77935, BRN 0110490, 452KD9YCG7, 4-Aza-1,1'-biphenyl, NSC-70375, NSC-77935, CHEMBL109074, DTXSID5022140, 4-Azabiphenyl, 5-20-07-00549 (Beilstein Handbook Reference), 52642-16-7, UNII-452KD9YCG7, pPhenylpyridine, phenyl-pyridine, NSC 70375, NSC 77935, p-Phenylpyridine, gamma-Phenylpyridine, 4-Phenylpyridin, ?-Phenylpyridine, 4-Pyridylbenzene, Pyridine, 4phenyl, 5SH, 4-Phenylpyridine, 97%, MLS002206281, SCHEMBL124353, DTXCID602140, SCHEMBL19003057, CHEBI:173662, HMS2268O18, NSC70375, NSC77935, BDBM50121955, AKOS005255288, AC-5099, CS-W018018, NCGC00247406-01, DS-14724, SMR000112292, SY021647, DB-031355, NS00039765, P0162, EN300-49165, Q27258800, 213-357-4 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Occurs in tea and peppermint. 4-Phenylpyridine is found in tea, sweet orange, and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-phenylpyridine |
| Nih Violation | False |
| Class | Pyridines and derivatives |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Phenylpyridines |
| Molecular Formula | C11H9N |
| Inchi Key | JVZRCNQLWOELDU-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-Methyl-4-phenylpyridinium, 4-Aza-1,1'-biphenyl, Cyperquat, N-Methyl-4-phenylpyridine, P-phenylpyridine, Phenyl-pyridine, Pyridine, 4-phenyl-, Pyridine, phenyl-, p-Phenylpyridine, 4-Phenyl-pyridine |
| Substituent Name | 4-phenylpyridine, Benzenoid, Monocyclic benzene moiety, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | 4-Phenylpyridine |
| Kingdom | Organic compounds |
| Exact Mass | 155.073 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 155.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 155.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H |
| Smiles | C1=CC=C(C=C1)C2=CC=NC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenylpyridines |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all