2-propylpyridin-4-ol

• ChemBase ID: 289095
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: Oc1cc(CCC)ncc1
• Canonical SMILES: CCCc1cc(O)ccn1
• InChI: InChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h4-6H,2-3H2,1H3,(H,9,10)
• InChIKey: UVMQOUSGQCFSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylpyridin-4-ol
• IUPAC Traditional name: 2-propylpyridin-4-ol
• Synonyms: 2-Propylpyridin-4-ol

Database IDs

• CAS Number: 1159814-21-7
• MDL Number: MFCD12032774
• PubChem SID: 180674626
• PubChem CID: 21699265

CALCULATED PROPERTIES

• Acid pKa: 10.723189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7242899
• LogD (pH = 7.4): 1.728225
• Log P: 1.7284827
• Molar Refractivity: 39.7014 cm^3
• Polarizability: 15.476808 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%