1,5-naphthyridin-3-ol

• ChemBase ID: 54451
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c1(cnc2c(c1)nccc2)O
• Canonical SMILES: Oc1cnc2c(c1)nccc2
• InChI: InChI=1S/C8H6N2O/c11-6-4-8-7(10-5-6)2-1-3-9-8/h1-5,11H
• InChIKey: VIZYFHZVBGCOAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-naphthyridin-3-ol
• IUPAC Traditional name: 1,5-naphthyridin-3-ol
• Synonyms: 1,5-Naphthyridin-3-ol; 1,5-Naphthyridin-3-ol

Database IDs

• CAS Number: 14756-78-6
• MDL Number: MFCD11656382
• PubChem SID: 162059214
• PubChem CID: 12524996

CALCULATED PROPERTIES

• Acid pKa: 7.802323
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99329895
• LogD (pH = 7.4): 0.8541409
• Log P: 0.995513
• Molar Refractivity: 39.4313 cm^3
• Polarizability: 16.661215 Å^3
• Polar Surface Area: 46.01 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): C8H6N2O

DETAILS

Sigma Aldrich - ADE000860

Other Notes
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