3-bromothieno[3,2-c]pyridin-4-amine

• ChemBase ID: 289172
• Molecular Formular: C7H5BrN2S
• Molecular Mass: 229.097
• Monoisotopic Mass: 227.93568117
• SMILES: Nc1nccc2c1c(Br)cs2
• Canonical SMILES: Brc1csc2c1c(N)ncc2
• InChI: InChI=1S/C7H5BrN2S/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H,(H2,9,10)
• InChIKey: NRVPVUKWJYSNTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromothieno[3,2-c]pyridin-4-amine
• IUPAC Traditional name: 3-bromothieno[3,2-c]pyridin-4-amine
• Synonyms: 3-Bromothieno[3,2-c]pyridin-4-amine

Database IDs

• CAS Number: 799293-85-9
• MDL Number: MFCD08275115
• PubChem SID: 180674703
• PubChem CID: 18450797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0725837
• LogD (pH = 7.4): 2.1645637
• Log P: 2.1658823
• Molar Refractivity: 49.8779 cm^3
• Polarizability: 19.54316 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%