2-(pyridin-2-yl)-1H-indole

• ChemBase ID: 73459
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: [nH]1c(cc2c1cccc2)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C13H10N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-9,15H
• InChIKey: OLGGLCIDAMICTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)-1H-indole
• IUPAC Traditional name: 2-(2-pyridyl)indole
• Synonyms: 2-(1H-Indol-2-yl)pyridine; 2-(Pyridin-2-yl)-1H-indole

Database IDs

• CAS Number: 13228-40-5
• MDL Number: MFCD00033466
• PubChem SID: 162038379
• PubChem CID: 270302

CALCULATED PROPERTIES

• Acid pKa: 14.008272
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7906044
• LogD (pH = 7.4): 2.8071961
• Log P: 2.8074121
• Molar Refractivity: 59.6293 cm^3
• Polarizability: 25.810307 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive