4-(6-aminopyridin-3-yl)phenol

• ChemBase ID: 291336
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: Oc1ccc(c2ccc(N)nc2)cc1
• Canonical SMILES: Oc1ccc(cc1)c1ccc(nc1)N
• InChI: InChI=1S/C11H10N2O/c12-11-6-3-9(7-13-11)8-1-4-10(14)5-2-8/h1-7,14H,(H2,12,13)
• InChIKey: MSOVIOVREUSBPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-aminopyridin-3-yl)phenol
• IUPAC Traditional name: 4-(6-aminopyridin-3-yl)phenol
• Synonyms: 4-(6-Aminopyridin-3-yl)phenol

Database IDs

• CAS Number: 96721-88-9
• MDL Number: MFCD12033344
• PubChem SID: 180676867
• PubChem CID: 45788631

CALCULATED PROPERTIES

• Acid pKa: 9.870702
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0478582
• LogD (pH = 7.4): 1.8275347
• Log P: 1.864765
• Molar Refractivity: 56.0321 cm^3
• Polarizability: 22.151756 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%