5-chloro-6-methoxypyridin-3-amine

• ChemBase ID: 293160
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Nc1cc(Cl)c(OC)nc1
• Canonical SMILES: COc1ncc(cc1Cl)N
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
• InChIKey: XSUGEKNUDFVPPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-methoxypyridin-3-amine
• IUPAC Traditional name: 5-chloro-6-methoxypyridin-3-amine
• Synonyms: 5-Chloro-6-methoxypyridin-3-amine

Database IDs

• CAS Number: 158387-20-3
• MDL Number: MFCD13190367
• PubChem SID: 180678691
• PubChem CID: 57370234

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96740866
• LogD (pH = 7.4): 0.9674775
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.046443 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%