2-iodo-3-methylpyridin-4-amine

• ChemBase ID: 292282
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Cc1c(N)ccnc1I
• Canonical SMILES: Nc1ccnc(c1C)I
• InChI: InChI=1S/C6H7IN2/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: POXJBXBVXBWWRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 79055-58-6
• PubChem SID: 180677813
• PubChem CID: 12643711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.91551477
• LogD (pH = 7.4): 1.3867459
• Log P: 1.401601
• Molar Refractivity: 46.7133 cm^3
• Polarizability: 17.636375 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%