1-(2-aminopyridin-4-yl)ethan-1-ol

• ChemBase ID: 294811
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: CC(O)c1cc(N)ncc1
• Canonical SMILES: Nc1nccc(c1)C(O)C
• InChI: InChI=1S/C7H10N2O/c1-5(10)6-2-3-9-7(8)4-6/h2-5,10H,1H3,(H2,8,9)
• InChIKey: GCMMYIYEKSCNRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminopyridin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-(2-aminopyridin-4-yl)ethanol
• Synonyms: 1-(2-Aminopyridin-4-yl)ethanol; 1-(2-Amino-pyridin-4-yl)-ethanol

Database IDs

• CAS Number: 885266-91-1
• MDL Number: MFCDN/A87N/A6274
• PubChem SID: 180680342
• PubChem CID: 17999148

CALCULATED PROPERTIES

• Acid pKa: 14.721199
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.87107974
• LogD (pH = 7.4): 0.095562965
• Log P: 0.17033023
• Molar Refractivity: 40.1497 cm^3
• Polarizability: 14.866068 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%