5-iodo-4-methylpyridin-2-amine

• ChemBase ID: 16282
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: Nc1cc(c(cn1)I)C
• Canonical SMILES: Nc1ncc(c(c1)C)I
• InChI: InChI=1S/C6H7IN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: HYRZCIXFHXERJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-iodo-4-methylpyridin-2-amine
• Synonyms: 2-Amino-5-iodo-4-picoline; 5-Iodo-4-methyl-2-pyridinamine; 2-Amino-5-iodo-4-methylpyridine; 5-Iodo-4-methyl-pyridin-2-ylamine; 2-Amino-5-iodo-4-methylpyridine; 5-Iodo-4-methyl-pyridin-2-ylamine; 2-氨基-5-碘-4-甲基吡啶

Database IDs

• CAS Number: 356561-08-5
• MDL Number: MFCD06637727
• PubChem SID: 160979589
• PubChem CID: 17750195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3723001
• LogD (pH = 7.4): 1.9462768
• Log P: 1.9634708
• Molar Refractivity: 47.3187 cm^3
• Polarizability: 17.563532 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117.3-118.0°C

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%; 98%
• Empirical Formula (Hill Notation): C6H7IN2

DETAILS

Sigma Aldrich - ADE000313

Other Notes
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Legal Information
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