5-fluoro-3-iodopyridin-2-amine

• ChemBase ID: 23764
• Molecular Formular: C5H4FIN2
• Molecular Mass: 238.0015332
• Monoisotopic Mass: 237.94032436
• SMILES: c1(cnc(c(c1)I)N)F
• Canonical SMILES: Fc1cnc(c(c1)I)N
• InChI: InChI=1S/C5H4FIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: WQSPIURCJCRCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-3-iodopyridin-2-amine
• IUPAC Traditional name: 5-fluoro-3-iodopyridin-2-amine
• Synonyms: 5-Fluoro-3-iodo-pyridin-2-ylamine; 5-Fluoro-3-iodopyridin-2-amine; 2-Amino-5-fluoro-3-iodopyridine; 5-fluoro-3-iodopyridin-2-amine; 5-Fluoro-3-iodo-pyridin-2-ylamine

Database IDs

• CAS Number: 823218-51-5
• MDL Number: MFCD08688587
• PubChem SID: 160987071
• PubChem CID: 18455974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.592385
• LogD (pH = 7.4): 1.5927467
• Log P: 1.5927514
• Molar Refractivity: 42.4939 cm^3
• Polarizability: 15.761125 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.75

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H4FIN2

DETAILS

Sigma Aldrich - ADE000390

Other Notes
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