6-(2,3-dihydro-1H-indol-1-yl)pyridin-3-amine

• ChemBase ID: 48337
• Molecular Formular: C13H13N3
• Molecular Mass: 211.26242
• Monoisotopic Mass: 211.11094743
• SMILES: N1(c2ncc(N)cc2)c2c(CC1)cccc2
• Canonical SMILES: Nc1ccc(nc1)N1CCc2c1cccc2
• InChI: InChI=1S/C13H13N3/c14-11-5-6-13(15-9-11)16-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8,14H2
• InChIKey: GWKGOYRTHAESJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,3-dihydro-1H-indol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(2,3-dihydroindol-1-yl)pyridin-3-amine
• Synonyms: 6-(2,3-Dihydro-1H-indol-1-yl)-3-pyridinylamine

Database IDs

• MDL Number: MFCD08700223
• PubChem SID: 162053100
• PubChem CID: 16790486

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8807862
• LogD (pH = 7.4): 2.217776
• Log P: 2.2245953
• Molar Refractivity: 65.6075 cm^3
• Polarizability: 24.184175 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false