4-iodo-6-methoxypyridin-3-amine

• ChemBase ID: 795931
• Molecular Formular: C6H7IN2O
• Molecular Mass: 250.03705
• Monoisotopic Mass: 249.96031085
• SMILES: n1c(cc(c(c1)N)I)OC
• Canonical SMILES: COc1ncc(c(c1)I)N
• InChI: InChI=1S/C6H7IN2O/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,8H2,1H3
• InChIKey: CZEKHMLILUQRPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-6-methoxypyridin-3-amine
• IUPAC Traditional name: 4-iodo-6-methoxypyridin-3-amine
• Synonyms: 5-amino-4-iodo-2-methoxypyridine

Database IDs

• CAS Number: 227180-21-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.292201
• LogD (pH = 7.4): 1.2923759
• Log P: 1.2923782
• Molar Refractivity: 48.7407 cm^3
• Polarizability: 18.407856 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%