5-chloro-3-methoxypyridin-2-amine

• ChemBase ID: 290362
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Nc1ncc(Cl)cc1OC
• Canonical SMILES: COc1cc(Cl)cnc1N
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3,(H2,8,9)
• InChIKey: CKFFRODMHNJVSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-methoxypyridin-2-amine
• IUPAC Traditional name: 5-chloro-3-methoxypyridin-2-amine
• Synonyms: 5-Chloro-3-methoxypyridin-2-amine

Database IDs

• CAS Number: 1242336-53-3
• PubChem SID: 180675893
• PubChem CID: 53217416

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9273708
• LogD (pH = 7.4): 0.96694803
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.016431 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%