2-chloro-3-methoxypyridin-4-amine

• ChemBase ID: 310080
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: c1(c(nccc1N)Cl)OC
• Canonical SMILES: COc1c(N)ccnc1Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-4(8)2-3-9-6(5)7/h2-3H,1H3,(H2,8,9)
• InChIKey: OPZBNOCLLDRHQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-methoxypyridin-4-amine
• IUPAC Traditional name: 2-chloro-3-methoxypyridin-4-amine
• Synonyms: 2-chloro-3-methoxy-4-pyridinamine

Database IDs

• CAS Number: 1227600-23-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.47728676
• LogD (pH = 7.4): 0.5915117
• Log P: 0.593198
• Molar Refractivity: 40.9308 cm^3
• Polarizability: 15.085788 Å^3
• Polar Surface Area: 48.14 Å^2