5-iodopyridin-2-amine

• ChemBase ID: 6938
• Molecular Formular: C5H5IN2
• Molecular Mass: 220.01107
• Monoisotopic Mass: 219.94974617
• SMILES: n1c(N)ccc(c1)I
• Canonical SMILES: Nc1ccc(cn1)I
• InChI: InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
• InChIKey: IVILGUFRMDBUEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodopyridin-2-amine
• IUPAC Traditional name: 5-iodopyridin-2-amine
• Synonyms: 5-Iodo-2-pyridinamine; 2-Amino-5-iodopyridine; 5-iodopyridin-2-amine; 5-Iodo-pyridin-2-ylamine; 5-Iodo-2-pyridinamine; 2-Amino-5-iodopyridine; 5-Iodo-pyridin-2-ylamine; 2-Amino-5-iodopyridine 97%; 2-氨基-5-碘吡啶

Database IDs

• CAS Number: 20511-12-0
• EC Number: 000-000-0
• MDL Number: MFCD00160312
• Beilstein Number: 108738
• PubChem SID: 24873886; 160970245
• PubChem CID: 88579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.310183
• LogD (pH = 7.4): 1.4479507
• Log P: 1.4500494
• Molar Refractivity: 42.2775 cm^3
• Polarizability: 15.839308 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Yellow Solid
• Melting Point: 126-128°C; 126-130°C; 127-129°C; 128-130°C; 128-131 °C(lit.); 130 - 132 °C
• Hydrophobicity(logP): 1.468

Safety Information

• Storage Warning: Irritant; Light Sensitive
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5IN2

DETAILS

Sigma Aldrich - 516392

Packaging
1 g in glass bottle