3-iodo-4-methylpyridin-2-amine

• ChemBase ID: 292772
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Cc1c(I)c(N)ncc1
• Canonical SMILES: Cc1ccnc(c1I)N
• InChI: InChI=1S/C6H7IN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: NWASPRQQZYVWTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-4-methylpyridin-2-amine
• IUPAC Traditional name: 3-iodo-4-methylpyridin-2-amine
• Synonyms: 3-Iodo-4-methylpyridin-2-amine

Database IDs

• CAS Number: 1227509-37-6
• PubChem SID: 180678303
• PubChem CID: 58564226

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2633289
• LogD (pH = 7.4): 1.9388881
• Log P: 1.9634708
• Molar Refractivity: 47.3187 cm^3
• Polarizability: 17.570341 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%