{5-chlorofuro[3,2-b]pyridin-2-yl}methanol

• ChemBase ID: 297144
• Molecular Formular: C8H6ClNO2
• Molecular Mass: 183.59174
• Monoisotopic Mass: 183.00870612
• SMILES: c1cc(nc2c1oc(c2)CO)Cl
• Canonical SMILES: OCc1cc2c(o1)ccc(n2)Cl
• InChI: InChI=1S/C8H6ClNO2/c9-8-2-1-7-6(10-8)3-5(4-11)12-7/h1-3,11H,4H2
• InChIKey: KEGRTUBZRMQESQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-chlorofuro[3,2-b]pyridin-2-yl}methanol
• IUPAC Traditional name: {5-chlorofuro[3,2-b]pyridin-2-yl}methanol
• Synonyms: 5-Chloro-2-(hydroxymethyl)furo[3,2-b]pyridine; 5-氯-2-(羟甲基)呋喃并[3,2-b]吡啶

Database IDs

• MDL Number: MFCD20040113
• PubChem SID: 180682675
• PubChem CID: 73995151

CALCULATED PROPERTIES

• Acid pKa: 13.603956
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2774202
• LogD (pH = 7.4): 1.27742
• Log P: 1.2774203
• Molar Refractivity: 44.9297 cm^3
• Polarizability: 18.219162 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108-110°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%