5-iodo-3-methylpyridin-2-amine

• ChemBase ID: 16289
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: n1c(c(cc(c1)I)C)N
• Canonical SMILES: Ic1cnc(c(c1)C)N
• InChI: InChI=1S/C6H7IN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: WTHKBDPHSGITFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 166266-19-9
• MDL Number: MFCD02102422
• PubChem SID: 160979596
• PubChem CID: 959586

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6488074
• LogD (pH = 7.4): 1.9574846
• Log P: 1.9634708
• Molar Refractivity: 47.3187 cm^3
• Polarizability: 17.563574 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104 °C; 110.2-110.5°C
• Hydrophobicity(logP): 2.013

Safety Information

• Storage Warning: IRRITANT; 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%; 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7IN2

DETAILS

Sigma Aldrich - ADE000317

Other Notes
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