4-iodopyridin-2-amine

• ChemBase ID: 798840
• Molecular Formular: C5H5IN2
• Molecular Mass: 220.01107
• Monoisotopic Mass: 219.94974617
• SMILES: n1c(cc(cc1)I)N
• Canonical SMILES: Ic1ccnc(c1)N
• InChI: InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
• InChIKey: RSMQQONIFJLFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodopyridin-2-amine
• IUPAC Traditional name: 4-iodopyridin-2-amine
• Synonyms: 4-iodopyridin-2-amine

Database IDs

• CAS Number: 552331-00-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0485436
• LogD (pH = 7.4): 1.4413836
• Log P: 1.4500494
• Molar Refractivity: 42.2775 cm^3
• Polarizability: 15.83355 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%