(2-amino-5-iodopyridin-3-yl)methanol

• ChemBase ID: 16275
• Molecular Formular: C6H7IN2O
• Molecular Mass: 250.03705
• Monoisotopic Mass: 249.96031085
• SMILES: c1(cnc(c(c1)CO)N)I
• Canonical SMILES: OCc1cc(I)cnc1N
• InChI: InChI=1S/C6H7IN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2,(H2,8,9)
• InChIKey: PRUOIEDNVWNRSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-iodopyridin-3-yl)methanol
• IUPAC Traditional name: (2-amino-5-iodopyridin-3-yl)methanol
• Synonyms: 2-Amino-5-iodopyridine-3-methanol; (2-Amino-5-iodo-pyridin-3-yl)-methanol; (2-Amino-5-iodo-pyridin-3-yl)-methanol; 2-氨基-5-碘吡啶-3-甲醇

Database IDs

• CAS Number: 618107-90-7
• MDL Number: MFCD05663524
• PubChem SID: 160979582
• PubChem CID: 17750179

CALCULATED PROPERTIES

• Acid pKa: 14.574342
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6155061
• LogD (pH = 7.4): 0.6817807
• Log P: 0.6826997
• Molar Refractivity: 49.0934 cm^3
• Polarizability: 18.349607 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170.8-174.6°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 97%; 98%
• Empirical Formula (Hill Notation): C6H7IN2O

DETAILS

Sigma Aldrich - ADE000278

Other Notes
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