(2,6-dichloro-5-fluoropyridin-3-yl)methanol

• ChemBase ID: 32069
• Molecular Formular: C6H4Cl2FNO
• Molecular Mass: 196.0064632
• Monoisotopic Mass: 194.96539733
• SMILES: c1(c(cc(c(n1)Cl)F)CO)Cl
• Canonical SMILES: OCc1cc(F)c(nc1Cl)Cl
• InChI: InChI=1S/C6H4Cl2FNO/c7-5-3(2-11)1-4(9)6(8)10-5/h1,11H,2H2
• InChIKey: RLGKFLYWBQHPIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dichloro-5-fluoropyridin-3-yl)methanol
• IUPAC Traditional name: (2,6-dichloro-5-fluoropyridin-3-yl)methanol
• Synonyms: 2,6-Dichloro-5-fluoro-3-(hydroxymethyl)pyridine

Database IDs

• MDL Number: MFCD04972782
• PubChem SID: 160995376
• PubChem CID: 23114857

CALCULATED PROPERTIES

• Acid pKa: 14.223082
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7793692
• LogD (pH = 7.4): 1.7793692
• Log P: 1.7793692
• Molar Refractivity: 42.6656 cm^3
• Polarizability: 15.710015 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%