[5-(thiophen-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 797129
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: C(N)c1cncc(c1)c1sccc1
• Canonical SMILES: NCc1cncc(c1)c1cccs1
• InChI: InChI=1S/C10H10N2S/c11-5-8-4-9(7-12-6-8)10-2-1-3-13-10/h1-4,6-7H,5,11H2
• InChIKey: QPCNANIYYCAHEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(thiophen-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(thiophen-2-yl)pyridin-3-yl]methanamine
• Synonyms: (5-(Thiophen-2-yl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1346687-11-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6189209
• LogD (pH = 7.4): -0.36248
• Log P: 1.3057152
• Molar Refractivity: 54.4006 cm^3
• Polarizability: 22.43233 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%