5-bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine

• ChemBase ID: 51049
• Molecular Formular: C9H9BrN4
• Molecular Mass: 253.09856
• Monoisotopic Mass: 252.00105831
• SMILES: c12c(nc(c(c2)Br)C2CC2)[nH]nc1N
• Canonical SMILES: Brc1cc2c(N)n[nH]c2nc1C1CC1
• InChI: InChI=1S/C9H9BrN4/c10-6-3-5-8(11)13-14-9(5)12-7(6)4-1-2-4/h3-4H,1-2H2,(H3,11,12,13,14)
• InChIKey: RJBRQZBFBCVKBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine
• IUPAC Traditional name: 5-bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine
• Synonyms: 5-Bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine; 3-Amino-5-bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridine 95+%; 5-Bromo-6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine

Database IDs

• MDL Number: MFCD14584777
• PubChem SID: 162055812
• PubChem CID: 49757498

CALCULATED PROPERTIES

• Acid pKa: 14.371927
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.889767
• LogD (pH = 7.4): 1.8915254
• Log P: 1.8915479
• Molar Refractivity: 58.4962 cm^3
• Polarizability: 21.771444 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• TSCA Listed: false

Product Information

• Purity: >95%