6-methyl-3-(1H-pyrazol-5-yl)pyridin-2-ol

• ChemBase ID: 29870
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: c1c(nc(c(c1)c1ccn[nH]1)O)C
• Canonical SMILES: Cc1ccc(c(n1)O)c1ccn[nH]1
• InChI: InChI=1S/C9H9N3O/c1-6-2-3-7(9(13)11-6)8-4-5-10-12-8/h2-5H,1H3,(H,10,12)(H,11,13)
• InChIKey: FNLQMJLYYLJCLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-3-(1H-pyrazol-5-yl)pyridin-2-ol
• IUPAC Traditional name: 6-methyl-3-(2H-pyrazol-3-yl)pyridin-2-ol
• Synonyms: 6-Methyl-3-(1H-pyrazol-5-yl)pyridin-2-ol

Database IDs

• MDL Number: MFCD01936098
• PubChem SID: 160993177
• PubChem CID: 16412816

CALCULATED PROPERTIES

• Acid pKa: 11.52117
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0485508
• LogD (pH = 7.4): 1.0492051
• Log P: 1.0492462
• Molar Refractivity: 49.4881 cm^3
• Polarizability: 19.557796 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%