4-chloro-2-(propan-2-yloxy)pyridine

• ChemBase ID: 795823
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: n1c(cc(cc1)Cl)OC(C)C
• Canonical SMILES: CC(Oc1nccc(c1)Cl)C
• InChI: InChI=1S/C8H10ClNO/c1-6(2)11-8-5-7(9)3-4-10-8/h3-6H,1-2H3
• InChIKey: SYMWKRNJBIFQND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 4-chloro-2-isopropoxypyridine
• Synonyms: 4-Chloro-2-isopropoxypyridine

Database IDs

• CAS Number: 1346809-01-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5696986
• LogD (pH = 7.4): 2.5697863
• Log P: 2.5697873
• Molar Refractivity: 44.65 cm^3
• Polarizability: 17.518562 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%