2-chloro-5-methoxypyridin-3-amine

• ChemBase ID: 289062
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: COc1cnc(Cl)c(N)c1
• Canonical SMILES: COc1cnc(c(c1)N)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
• InChIKey: YSVYALRSRXUGTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 720666-45-5
• MDL Number: MFCD11044248
• PubChem SID: 180674593
• PubChem CID: 20200420

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.593185
• LogD (pH = 7.4): 0.5931979
• Log P: 0.593198
• Molar Refractivity: 40.9308 cm^3
• Polarizability: 15.06636 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1

PROPERTIES

Product Information

• Purity: 95+%