2-(1,8-naphthyridin-2-yl)phenol

• ChemBase ID: 12325
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: c1(c(cccc1)c1nc2c(cc1)cccn2)O
• Canonical SMILES: Oc1ccccc1c1ccc2c(n1)nccc2
• InChI: InChI=1S/C14H10N2O/c17-13-6-2-1-5-11(13)12-8-7-10-4-3-9-15-14(10)16-12/h1-9,17H
• InChIKey: AYKMXKNVEUMLFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,8-naphthyridin-2-yl)phenol
• IUPAC Traditional name: 2-(1,8-naphthyridin-2-yl)phenol
• Synonyms: 2-(1,8-Naphthyridin-2-yl)phenol; 2-(1,8-naphthyridin-2-yl)-Phenol; 2-NP

Database IDs

• CAS Number: 65182-56-1
• MDL Number: MFCD00203050
• PubChem SID: 160975632
• PubChem CID: 5811310

CALCULATED PROPERTIES

• Acid pKa: 8.465294
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9672709
• LogD (pH = 7.4): 2.9321437
• Log P: 2.967743
• Molar Refractivity: 66.1403 cm^3
• Polarizability: 27.01819 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ≥10 mg/mL
• Apperance: orange solid
• Melting Point: 193-196°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Storage Temperature: room temp

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C14H10N2O

DETAILS

Sigma Aldrich - N2040

Biochem/physiol Actions
2-NP is a STAT1 Enhancer