(4-aminopyridin-3-yl)boronic acid

• ChemBase ID: 310127
• Molecular Formular: C5H7BN2O2
• Molecular Mass: 137.93228
• Monoisotopic Mass: 138.06005787
• SMILES: c1(B(O)O)c(N)ccnc1
• Canonical SMILES: OB(c1cnccc1N)O
• InChI: InChI=1S/C5H7BN2O2/c7-5-1-2-8-3-4(5)6(9)10/h1-3,9-10H,(H2,7,8)
• InChIKey: AQTFSVZONUPBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopyridin-3-yl)boronic acid
• IUPAC Traditional name: 4-aminopyridin-3-ylboronic acid
• Synonyms: (4-amino-3-pyridinyl)boronic acid

Database IDs

• CAS Number: 959957-75-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4985003
• LogD (pH = 7.4): -1.0482336
• Log P: -0.90166396
• Molar Refractivity: 33.147 cm^3
• Polarizability: 13.791716 Å^3
• Polar Surface Area: 79.37 Å^2