2-chloro-5-methylpyridin-3-ol

• ChemBase ID: 50557
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(cnc(c(c1)O)Cl)C
• Canonical SMILES: Cc1cnc(c(c1)O)Cl
• InChI: InChI=1S/C6H6ClNO/c1-4-2-5(9)6(7)8-3-4/h2-3,9H,1H3
• InChIKey: XEDIIPSWUBXIAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methylpyridin-3-ol
• IUPAC Traditional name: 2-chloro-5-methylpyridin-3-ol
• Synonyms: 2-Chloro-5-methylpyridin-3-ol; 2-Chloro-5-methylpyridin-3-ol

Database IDs

• CAS Number: 910649-59-1
• MDL Number: MFCD09839272
• PubChem SID: 162055320
• PubChem CID: 29919372

CALCULATED PROPERTIES

• Acid pKa: 7.3987346
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7841877
• LogD (pH = 7.4): 1.496997
• Log P: 1.7896513
• Molar Refractivity: 36.7893 cm^3
• Polarizability: 13.779782 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H6ClNO

DETAILS

Sigma Aldrich - ADE000745

Other Notes
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