(6-ethylpyridin-2-yl)methanol

• ChemBase ID: 293864
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: CCc1cccc(CO)n1
• Canonical SMILES: CCc1cccc(n1)CO
• InChI: InChI=1S/C8H11NO/c1-2-7-4-3-5-8(6-10)9-7/h3-5,10H,2,6H2,1H3
• InChIKey: KIWCPAGPWRSQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-ethylpyridin-2-yl)methanol
• IUPAC Traditional name: (6-ethylpyridin-2-yl)methanol
• Synonyms: (6-Ethylpyridin-2-yl)methanol

Database IDs

• CAS Number: 163658-33-1
• PubChem SID: 180679395
• PubChem CID: 10749240

CALCULATED PROPERTIES

• Acid pKa: 14.251206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7155715
• LogD (pH = 7.4): 0.89866877
• Log P: 0.90160155
• Molar Refractivity: 39.4132 cm^3
• Polarizability: 15.489452 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%