6-(thiophen-2-yl)pyridin-3-amine

• ChemBase ID: 101358
• Molecular Formular: C9H8N2S
• Molecular Mass: 176.23822
• Monoisotopic Mass: 176.04081927
• SMILES: c1(sccc1)c1ncc(N)cc1
• Canonical SMILES: Nc1ccc(nc1)c1cccs1
• InChI: InChI=1S/C9H8N2S/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H,10H2
• InChIKey: WIWMMXAXMOQPRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(thiophen-2-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(thiophen-2-yl)pyridin-3-amine
• Synonyms: 6-thien-2-ylpyrid-3-ylamine

Database IDs

• CAS Number: 898289-44-6
• MDL Number: MFCD09025877
• PubChem SID: 162087531
• PubChem CID: 18525865

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7304201
• LogD (pH = 7.4): 1.7367893
• Log P: 1.7368711
• Molar Refractivity: 50.2556 cm^3
• Polarizability: 20.19157 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%