5-iodo-N,3-dimethylpyridin-2-amine

• ChemBase ID: 296520
• Molecular Formular: C7H9IN2
• Molecular Mass: 248.06423
• Monoisotopic Mass: 247.9810463
• SMILES: Cc1cc(cnc1NC)I
• Canonical SMILES: CNc1ncc(cc1C)I
• InChI: InChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
• InChIKey: ZHUKYUJCPFBDHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-N,3-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-iodo-N,3-dimethylpyridin-2-amine
• Synonyms: 5-Iodo-N,3-dimethyl-2-pyridinamine; 5-Iodo-3-methyl-2-methylaminopyridine; 5-碘-3-甲基-2-甲基氨基吡啶

Database IDs

• CAS Number: 942206-33-9
• MDL Number: MFCD09037456
• PubChem SID: 180682051
• PubChem CID: 37030063

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0219245
• LogD (pH = 7.4): 2.2609856
• Log P: 2.2651749
• Molar Refractivity: 52.8121 cm^3
• Polarizability: 19.361324 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-73°C

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%