3-iodo-6-methylpyridin-2-amine

• ChemBase ID: 288040
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Nc1nc(C)ccc1I
• Canonical SMILES: Cc1ccc(c(n1)N)I
• InChI: InChI=1S/C6H7IN2/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: QOAIVYVMHSWJDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-6-methylpyridin-2-amine
• IUPAC Traditional name: 3-iodo-6-methylpyridin-2-amine
• Synonyms: 3-Iodo-6-methylpyridin-2-amine

Database IDs

• CAS Number: 884495-19-6
• PubChem SID: 180673571
• PubChem CID: 44754843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.983489
• LogD (pH = 7.4): 1.5649914
• Log P: 1.5814196
• Molar Refractivity: 46.869 cm^3
• Polarizability: 17.570402 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%