2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-4-amine

• ChemBase ID: 243811
• Molecular Formular: C13H13N3
• Molecular Mass: 211.26242
• Monoisotopic Mass: 211.11094743
• SMILES: N1(Cc2c(C1)cccc2N)c1ncccc1
• Canonical SMILES: Nc1cccc2c1CN(C2)c1ccccn1
• InChI: InChI=1S/C13H13N3/c14-12-5-3-4-10-8-16(9-11(10)12)13-6-1-2-7-15-13/h1-7H,8-9,14H2
• InChIKey: AQBWQDXBAHASJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-4-amine
• IUPAC Traditional name: 2-(pyridin-2-yl)-1,3-dihydroisoindol-4-amine
• Synonyms: 2-(pyridin-2-yl)-2,3-dihydro-1H-isoindol-4-amine

Database IDs

• MDL Number: MFCD10007264
• PubChem SID: 164299721
• PubChem CID: 24278650

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2841634
• LogD (pH = 7.4): 2.0689964
• Log P: 2.1048493
• Molar Refractivity: 66.5108 cm^3
• Polarizability: 24.261412 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.906

Product Information

• Purity: 95%