2,6-dimethyl-4-(thiophen-2-yl)pyridine

• ChemBase ID: 86141
• Molecular Formular: C11H11NS
• Molecular Mass: 189.27674
• Monoisotopic Mass: 189.06122036
• SMILES: n1c(cc(cc1C)c1cccs1)C
• Canonical SMILES: Cc1nc(C)cc(c1)c1cccs1
• InChI: InChI=1S/C11H11NS/c1-8-6-10(7-9(2)12-8)11-4-3-5-13-11/h3-7H,1-2H3
• InChIKey: JOSMFZWOFQZEHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(thiophen-2-yl)pyridine
• IUPAC Traditional name: 2,6-dimethyl-4-(thiophen-2-yl)pyridine
• Synonyms: 2,6-Dimethyl-4-(2-thienyl)pyridine

Database IDs

• MDL Number: MFCD00203548
• PubChem SID: 162073257
• PubChem CID: 3646787

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0158877
• LogD (pH = 7.4): 2.433457
• Log P: 2.442687
• Molar Refractivity: 55.1102 cm^3
• Polarizability: 22.601276 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true