2-(1H-indol-5-yloxy)pyridin-3-amine

• ChemBase ID: 120788
• Molecular Formular: C13H11N3O
• Molecular Mass: 225.24594
• Monoisotopic Mass: 225.09021199
• SMILES: c1(Oc2cc3c([nH]cc3)cc2)ncccc1N
• Canonical SMILES: Nc1cccnc1Oc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C13H11N3O/c14-11-2-1-6-16-13(11)17-10-3-4-12-9(8-10)5-7-15-12/h1-8,15H,14H2
• InChIKey: FUHMCPKMMGLHQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-5-yloxy)pyridin-3-amine
• IUPAC Traditional name: 2-(1H-indol-5-yloxy)pyridin-3-amine
• Synonyms: 2-((1H-indol-5-yl)oxy)pyridin-3-amine

Database IDs

• PubChem SID: 162215141
• PubChem CID: 21656670

CALCULATED PROPERTIES

• Acid pKa: 16.56528
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1198616
• LogD (pH = 7.4): 2.1201506
• Log P: 2.1201541
• Molar Refractivity: 66.2423 cm^3
• Polarizability: 26.129482 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true