3,5-diiodo-6-methylpyridin-2-amine

• ChemBase ID: 297056
• Molecular Formular: C6H6I2N2
• Molecular Mass: 359.93418
• Monoisotopic Mass: 359.8620442
• SMILES: Cc1c(cc(c(n1)N)I)I
• Canonical SMILES: Ic1cc(I)c(nc1C)N
• InChI: InChI=1S/C6H6I2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
• InChIKey: BSXUGYBTSPNQDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diiodo-6-methylpyridin-2-amine
• IUPAC Traditional name: 3,5-diiodo-6-methylpyridin-2-amine
• Synonyms: 2-Amino-3,5-diiodo-6-methylpyridine; 2-氨基-3,5-二碘-6-甲基吡啶

Database IDs

• CAS Number: 1000342-88-0
• MDL Number: MFCD09880040
• PubChem SID: 180682587
• PubChem CID: 24729486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.478429
• LogD (pH = 7.4): 2.5099468
• Log P: 2.510364
• Molar Refractivity: 60.2315 cm^3
• Polarizability: 23.09947 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%