5-iodo-6-methylpyridin-2-amine

• ChemBase ID: 16290
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Nc1ccc(c(n1)C)I
• Canonical SMILES: Nc1ccc(c(n1)C)I
• InChI: InChI=1S/C6H7IN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: AFMNJDHAAFAELF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-6-methylpyridin-2-amine
• IUPAC Traditional name: 5-iodo-6-methylpyridin-2-amine
• Synonyms: 5-Iodo-6-methyl-pyridin-2-ylamine; 2-Amino-5-iodo-6-methylpyridine; 5-iodo-6-methyl-2-pyridinamine; 5-Iodo-6-methyl-2-pyridinamine; 6-Amino-3-iodo-2-methylpyridine; 6-Amino-3-iodo-2-picoline; 5-Iodo-6-methyl-pyridin-2-ylamine; 5-iodo-6-methylpyridin-2-amine; 6-氨基-3-碘-2-甲基吡啶

Database IDs

• CAS Number: 75073-11-9
• MDL Number: MFCD04138418
• PubChem SID: 160979597
• PubChem CID: 959613

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.978438
• LogD (pH = 7.4): 1.5647305
• Log P: 1.5814196
• Molar Refractivity: 46.869 cm^3
• Polarizability: 17.565125 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C; 99.9-100.1°C
• Hydrophobicity(logP): 1.763

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 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%; 97%
• Empirical Formula (Hill Notation): C6H7IN2

DETAILS

Sigma Aldrich - ADE000318

Other Notes
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