6-chloro-5-methylpyridin-3-ol

• ChemBase ID: 289175
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: Oc1cc(C)c(Cl)nc1
• Canonical SMILES: Oc1cnc(c(c1)C)Cl
• InChI: InChI=1S/C6H6ClNO/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3
• InChIKey: UGDSWVXJJFIVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methylpyridin-3-ol
• IUPAC Traditional name: 6-chloro-5-methylpyridin-3-ol
• Synonyms: 6-Chloro-5-methylpyridin-3-ol

Database IDs

• CAS Number: 54232-03-0
• PubChem SID: 180674706
• PubChem CID: 12852015

CALCULATED PROPERTIES

• Acid pKa: 8.423906
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7890913
• LogD (pH = 7.4): 1.7511293
• Log P: 1.7896513
• Molar Refractivity: 36.7893 cm^3
• Polarizability: 13.757726 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%