1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine

• ChemBase ID: 274246
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c12n(ccc1CCNC2)C
• Canonical SMILES: Cn1ccc2c1CNCC2
• InChI: InChI=1S/C8H12N2/c1-10-5-3-7-2-4-9-6-8(7)10/h3,5,9H,2,4,6H2,1H3
• InChIKey: ZUAUMVVHFYDLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine
• IUPAC Traditional name: 1-methyl-4H,5H,6H,7H-pyrrolo[2,3-c]pyridine
• Synonyms: 1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine

Database IDs

• MDL Number: MFCD18785631
• PubChem SID: 164330156
• PubChem CID: 21846784

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.190636
• LogD (pH = 7.4): -0.6499269
• Log P: 0.7950445
• Molar Refractivity: 42.1486 cm^3
• Polarizability: 16.042376 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.667

Product Information

• Purity: 95%