(4-azidopyridin-2-yl)methanol

• ChemBase ID: 244239
• Molecular Formular: C6H6N4O
• Molecular Mass: 150.13804
• Monoisotopic Mass: 150.05416083
• SMILES: [N+](=[N-])=Nc1cc(ncc1)CO
• Canonical SMILES: [N-]=[N+]=Nc1ccnc(c1)CO
• InChI: InChI=1S/C6H6N4O/c7-10-9-5-1-2-8-6(3-5)4-11/h1-3,11H,4H2
• InChIKey: WFZKHDBTXDOMHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-azidopyridin-2-yl)methanol
• IUPAC Traditional name: (4-azidopyridin-2-yl)methanol
• Synonyms: (4-azidopyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD22628485
• PubChem SID: 164300149
• PubChem CID: 71757459

CALCULATED PROPERTIES

• Acid pKa: 14.049143
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.36496767
• LogD (pH = 7.4): 0.3758783
• Log P: 0.4900651
• Molar Refractivity: 40.4824 cm^3
• Polarizability: 14.17582 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 1.22

Product Information

• Purity: 95%