1.0 2010-04-08 22:06:14 UTC 2025-11-18 22:56:11 UTC FDB004414 3-Methoxypyridine 3-methoxypyridine is a member of the class of compounds known as alkyl aryl ethers. Alkyl aryl ethers are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. 3-methoxypyridine is soluble (in water) and a strong basic compound (based on its pKa). 3-methoxypyridine can be found in tea, which makes 3-methoxypyridine a potential biomarker for the consumption of this food product. β-methoxypyridine 2-METHOXYPYRIDINE 3-Methoxy pyridine 3-Methoxypyridine Beta-methoxypyridine Pyridine, 3-methoxy- C6H7NO 109.1259 109.052763851 3-methoxypyridine 3-methyoxypyridine COC1=CC=CN=C1 InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3 UMJSCPRVCHMLSP-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. Alkyl aryl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine logp 0.89 ALOGPS logs 0.48 ALOGPS solubility 3.27e+02 g/l ALOGPS logp 0.6 ChemAxon pka_strongest_basic 4.81 ChemAxon iupac 3-methoxypyridine ChemAxon average_mass 109.1259 ChemAxon mono_mass 109.052763851 ChemAxon smiles COC1=CC=CN=C1 ChemAxon formula C6H7NO ChemAxon inchi InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3 ChemAxon inchikey UMJSCPRVCHMLSP-UHFFFAOYSA-N ChemAxon polar_surface_area 22.12 ChemAxon refractivity 30.36 ChemAxon polarizability 11.14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103206 Specdb::MsMs 103207 Specdb::MsMs 103208 Specdb::MsMs 169185 Specdb::MsMs 169186 Specdb::MsMs 169187 Specdb::MsMs 3600467 Specdb::MsMs 3600468 Specdb::MsMs 3600469 Specdb::MsMs 3601853 Specdb::MsMs 3601854 Specdb::MsMs 3601855 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442