2-chloro-3-(propan-2-yloxy)pyridine

• ChemBase ID: 116756
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: c1(c(OC(C)C)cccn1)Cl
• Canonical SMILES: CC(Oc1cccnc1Cl)C
• InChI: InChI=1S/C8H10ClNO/c1-6(2)11-7-4-3-5-10-8(7)9/h3-6H,1-2H3
• InChIKey: BQCSJRADEZYOTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 2-chloro-3-isopropoxypyridine
• Synonyms: 2-Chloro-3-isopropoxypyridine

Database IDs

• MDL Number: MFCD16653100
• PubChem SID: 162102333
• PubChem CID: 33679089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1954901
• LogD (pH = 7.4): 2.1955068
• Log P: 2.195507
• Molar Refractivity: 45.3978 cm^3
• Polarizability: 17.590267 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.428

Product Information

• Purity: 95+%