(2-chloro-5-fluoropyridin-4-yl)methanol

• ChemBase ID: 293701
• Molecular Formular: C6H5ClFNO
• Molecular Mass: 161.5614032
• Monoisotopic Mass: 161.00436969
• SMILES: OCc1cc(Cl)ncc1F
• Canonical SMILES: OCc1cc(Cl)ncc1F
• InChI: InChI=1S/C6H5ClFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-2,10H,3H2
• InChIKey: ULYHGGNKEUYIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-fluoropyridin-4-yl)methanol
• IUPAC Traditional name: (2-chloro-5-fluoropyridin-4-yl)methanol
• Synonyms: (2-Chloro-5-fluoropyridin-4-yl)methanol

Database IDs

• CAS Number: 884494-86-4
• MDL Number: MFCD05662385
• PubChem SID: 180679232
• PubChem CID: 44754793

CALCULATED PROPERTIES

• Acid pKa: 14.19498
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9551474
• LogD (pH = 7.4): 0.9551473
• Log P: 0.9551474
• Molar Refractivity: 36.7995 cm^3
• Polarizability: 13.636091 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%