5-chloro-2-methoxypyridin-3-amine

• ChemBase ID: 290363
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Nc1cc(Cl)cnc1OC
• Canonical SMILES: COc1ncc(cc1N)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
• InChIKey: YOVZLBYUUJGCEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxypyridin-3-amine
• IUPAC Traditional name: 5-chloro-2-methoxypyridin-3-amine
• Synonyms: 5-Chloro-2-methoxypyridin-3-amine; 3-AMINO-5-CHLORO-2-METHOXYPYRIDINE

Database IDs

• CAS Number: 886373-70-2
• PubChem SID: 180675894
• PubChem CID: 45122181

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9674498
• LogD (pH = 7.4): 0.96747804
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.022963 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%