5-iodo-4,6-dimethylpyridin-2-amine

• ChemBase ID: 71248
• Molecular Formular: C7H9IN2
• Molecular Mass: 248.06423
• Monoisotopic Mass: 247.9810463
• SMILES: n1c(c(c(cc1N)C)I)C
• Canonical SMILES: Nc1cc(C)c(c(n1)C)I
• InChI: InChI=1S/C7H9IN2/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3,(H2,9,10)
• InChIKey: KJDKMUXRVKLPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-4,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-iodo-4,6-dimethylpyridin-2-amine
• Synonyms: 2-Amino-5-iodo-4,6-dimethylpyridine; 4,6-Dimethyl-5-iodo-2-pyridinamine; 6-Amino-2,4-dimethyl-3-iodopyridine; 6-氨基-2,4-二甲基-3-碘吡啶

Database IDs

• CAS Number: 885952-12-5
• MDL Number: MFCD06798226
• PubChem SID: 162036838
• PubChem CID: 42553010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7750187
• LogD (pH = 7.4): 1.9740211
• Log P: 2.094841
• Molar Refractivity: 51.9102 cm^3
• Polarizability: 19.295155 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%