7-fluoro-1,8-naphthyridin-2-ol

• ChemBase ID: 19114
• Molecular Formular: C8H5FN2O
• Molecular Mass: 164.1365032
• Monoisotopic Mass: 164.03859101
• SMILES: n1c(ccc2ccc(nc12)F)O
• Canonical SMILES: Oc1ccc2c(n1)nc(cc2)F
• InChI: InChI=1S/C8H5FN2O/c9-6-3-1-5-2-4-7(12)11-8(5)10-6/h1-4H,(H,10,11,12)
• InChIKey: FUBNBYAEJAJCBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1,8-naphthyridin-2-ol
• IUPAC Traditional name: 7-fluoro-1,8-naphthyridin-2-ol
• Synonyms: 7-Fluoro-[1,8]naphthyridin-2-ol; 7-Fluoro-[1,8]naphthyridin-2-ol

Database IDs

• CAS Number: 846033-37-2
• MDL Number: MFCD08459315
• PubChem SID: 160982421
• PubChem CID: 21073920

CALCULATED PROPERTIES

• Acid pKa: 10.418531
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0657523
• LogD (pH = 7.4): 2.0653467
• Log P: 2.0657575
• Molar Refractivity: 42.9207 cm^3
• Polarizability: 15.672563 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280-281°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C8H5FN2O

DETAILS

Sigma Aldrich - ADE000840

Other Notes
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