2-(1H-pyrrol-1-yl)pyridine

• ChemBase ID: 80973
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: n1(c2ccccn2)cccc1
• Canonical SMILES: c1ccc(nc1)n1cccc1
• InChI: InChI=1S/C9H8N2/c1-2-6-10-9(5-1)11-7-3-4-8-11/h1-8H
• InChIKey: AWOGYKQLZGNICG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-pyrrol-1-yl)pyridine
• IUPAC Traditional name: 2-(pyrrol-1-yl)pyridine
• Synonyms: 2-(1H-pyrrol-1-yl)pyridine

Database IDs

• CAS Number: 50966-74-0
• MDL Number: MFCD00023415
• PubChem SID: 162068092
• PubChem CID: 736557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8857712
• LogD (pH = 7.4): 1.9476492
• Log P: 1.9485
• Molar Refractivity: 53.967 cm^3
• Polarizability: 16.753763 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%