{pyrazolo[1,5-a]pyridin-7-yl}boronic acid

• ChemBase ID: 309214
• Molecular Formular: C7H7BN2O2
• Molecular Mass: 161.95368
• Monoisotopic Mass: 162.06005787
• SMILES: c1(n2c(ccn2)ccc1)B(O)O
• Canonical SMILES: OB(c1cccc2n1ncc2)O
• InChI: InChI=1S/C7H7BN2O2/c11-8(12)7-3-1-2-6-4-5-9-10(6)7/h1-5,11-12H
• InChIKey: XYPAUEHJYVNCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {pyrazolo[1,5-a]pyridin-7-yl}boronic acid
• IUPAC Traditional name: pyrazolo[1,5-a]pyridin-7-ylboronic acid
• Synonyms: pyrazolo[1,5-a]pyridin-7-ylboronic acid

Database IDs

• CAS Number: 1231934-40-9
• MDL Number: MFCD06739230

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3088089
• LogD (pH = 7.4): 1.2833359
• Log P: 1.3092
• Molar Refractivity: 49.7767 cm^3
• Polarizability: 17.159523 Å^3
• Polar Surface Area: 57.76 Å^2