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

• ChemBase ID: 79045
• Molecular Formular: C9H8N2S
• Molecular Mass: 176.23822
• Monoisotopic Mass: 176.04081927
• SMILES: s1c(ccc1c1cccnc1)N
• Canonical SMILES: Nc1ccc(s1)c1cccnc1
• InChI: InChI=1S/C9H8N2S/c10-9-4-3-8(12-9)7-2-1-5-11-6-7/h1-6H,10H2
• InChIKey: NQVNWLWVULSZAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyridin-3-yl)thiophen-2-amine
• IUPAC Traditional name: 5-(pyridin-3-yl)thiophen-2-amine
• Synonyms: 5-(Pyridin-3-yl)thien-2-amine; 2-Amino-5-(pyridin-3-yl)thiophene; 3-(2-Aminothien-5-yl)pyridine

Database IDs

• CAS Number: 837376-58-6
• MDL Number: MFCD09038085
• PubChem SID: 162043808
• PubChem CID: 25817348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4828801
• LogD (pH = 7.4): 1.5165658
• Log P: 1.5170168
• Molar Refractivity: 49.7875 cm^3
• Polarizability: 20.178381 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Stench