6-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine

• ChemBase ID: 289197
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: Nc1c2c([nH]cc2)nc(C)c1
• Canonical SMILES: Cc1cc(N)c2c(n1)[nH]cc2
• InChI: InChI=1S/C8H9N3/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-4H,1H3,(H3,9,10,11)
• InChIKey: LNLFPJVXLOPHDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
• IUPAC Traditional name: 6-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
• Synonyms: 6-Methyl-1H-pyrrolo[2,3-b]pyridin-4-amine

Database IDs

• CAS Number: 1000340-60-2
• PubChem SID: 180674728
• PubChem CID: 24729585

CALCULATED PROPERTIES

• Acid pKa: 14.940373
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.996661
• LogD (pH = 7.4): -0.38891637
• Log P: 0.5242416
• Molar Refractivity: 44.2321 cm^3
• Polarizability: 16.878918 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%