3,5-diiodopyridin-4-amine

• ChemBase ID: 93006
• Molecular Formular: C5H4I2N2
• Molecular Mass: 345.9076
• Monoisotopic Mass: 345.84639414
• SMILES: n1cc(c(c(c1)I)N)I
• Canonical SMILES: Ic1cncc(c1N)I
• InChI: InChI=1S/C5H4I2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
• InChIKey: XDDQGODHCQZZEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diiodopyridin-4-amine
• IUPAC Traditional name: 3,5-diiodopyridin-4-amine
• Synonyms: 4-Amino-3,5-diiodopyridine

Database IDs

• CAS Number: 98136-86-8
• MDL Number: MFCD02663851
• PubChem SID: 162079704
• PubChem CID: 40468288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3699739
• LogD (pH = 7.4): 1.7739878
• Log P: 1.7845364
• Molar Refractivity: 55.3265 cm^3
• Polarizability: 21.405123 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant