6-chloro-4-iodopyridin-3-amine

• ChemBase ID: 799569
• Molecular Formular: C5H4ClIN2
• Molecular Mass: 254.45613
• Monoisotopic Mass: 253.91077382
• SMILES: n1cc(c(cc1Cl)I)N
• Canonical SMILES: Clc1ncc(c(c1)I)N
• InChI: InChI=1S/C5H4ClIN2/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2
• InChIKey: UOICMMKVFPTQMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-iodopyridin-3-amine
• IUPAC Traditional name: 6-chloro-4-iodopyridin-3-amine
• Synonyms: 6-chloro-4-iodopyridin-3-amine

Database IDs

• CAS Number: 351227-42-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6798114
• LogD (pH = 7.4): 1.6798137
• Log P: 1.6798137
• Molar Refractivity: 47.8301 cm^3
• Polarizability: 17.886322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%