1H-pyrrolo[2,3-c]pyridin-5-amine

• ChemBase ID: 294677
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Nc1cc2c([nH]cc2)cn1
• Canonical SMILES: Nc1ncc2c(c1)cc[nH]2
• InChI: InChI=1S/C7H7N3/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H,(H2,8,10)
• InChIKey: PFKVAHFIYOMPMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-c]pyridin-5-amine
• IUPAC Traditional name: 1H-pyrrolo[2,3-c]pyridin-5-amine
• Synonyms: 1H-Pyrrolo[2,3-c]pyridin-5-amine

Database IDs

• CAS Number: 174610-12-9
• MDL Number: MFCD00817668
• PubChem SID: 180680208
• PubChem CID: 18975323

CALCULATED PROPERTIES

• Acid pKa: 15.997295
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.53439635
• LogD (pH = 7.4): 0.50696534
• Log P: 0.61986697
• Molar Refractivity: 40.0015 cm^3
• Polarizability: 15.805876 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%