2,5-Dimethylpyridine
PubChem CID: 11526
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| Compound Synonyms | 2,5-DIMETHYLPYRIDINE, 2,5-Lutidine, 589-93-5, Pyridine, 2,5-dimethyl-, 2,5-dimethyl-pyridine, NSC 5089, EINECS 209-666-9, UNII-6L09RM76RH, 6L09RM76RH, NSC-5089, 5-methyl-2-methylpyridine, DTXSID0060436, MFCD00006343, NSC5089, 2,5Lutidine, Pyridine, 2,5dimethyl, 2,5-Lutidine, 95%, SCHEMBL31030, WLN: T6NJ B1 E1, DTXCID3042500, AKOS005258301, LS-13280, DB-053300, L0065, NS00022441, EN300-61695, I10249, Q23636061 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | XWKFPIODWVPXLX-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | liquid |
| Synonyms | 2, 5-Dimethylpyridine, 2,5-Dimethylpyridine, 2,5-Lutidine, 5-methyl-2-methylpyridine, Pyridine, 2,5-dimethyl- |
| Heavy Atom Count | 8.0 |
| Compound Name | 2,5-Dimethylpyridine |
| Description | 2,5-dimethylpyridine is a member of the class of compounds known as methylpyridines. Methylpyridines are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. 2,5-dimethylpyridine is soluble (in water) and a very strong basic compound (based on its pKa). 2,5-dimethylpyridine can be found in tea, which makes 2,5-dimethylpyridine a potential biomarker for the consumption of this food product. |
| Exact Mass | 107.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 107.073 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.15 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethylpyridine |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3 |
| Smiles | CC1=CN=C(C=C1)C |
| Xlogp | 1.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C7H9N |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all