2-iodopyridin-3-amine

• ChemBase ID: 67341
• Molecular Formular: C5H5IN2
• Molecular Mass: 220.01107
• Monoisotopic Mass: 219.94974617
• SMILES: c1(c(cccn1)N)I
• Canonical SMILES: Nc1cccnc1I
• InChI: InChI=1S/C5H5IN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
• InChIKey: CQOKRSJTVWBAKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopyridin-3-amine
• IUPAC Traditional name: 2-iodopyridin-3-amine
• Synonyms: 3-Amino-2-iodopyridine; 2-iodopyridin-3-amine

Database IDs

• CAS Number: 209286-97-5
• MDL Number: MFCD07779506
• PubChem SID: 162033076
• PubChem CID: 18176337

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8880063
• LogD (pH = 7.4): 0.88817734
• Log P: 0.88817954
• Molar Refractivity: 41.6721 cm^3
• Polarizability: 15.920242 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.264

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%