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

• ChemBase ID: 48527
• Molecular Formular: C13H13N3
• Molecular Mass: 211.26242
• Monoisotopic Mass: 211.11094743
• SMILES: N1(c2ncccc2N)c2c(CC1)cccc2
• Canonical SMILES: Nc1cccnc1N1CCc2c1cccc2
• InChI: InChI=1S/C13H13N3/c14-11-5-3-8-15-13(11)16-9-7-10-4-1-2-6-12(10)16/h1-6,8H,7,9,14H2
• InChIKey: ZCQRTPZZCMCRDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08700178
• PubChem SID: 162053290
• PubChem CID: 16788709

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8223176
• LogD (pH = 7.4): 2.2159028
• Log P: 2.2245953
• Molar Refractivity: 65.6075 cm^3
• Polarizability: 24.185413 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