(6-bromopyridin-3-yl)methanol

• ChemBase ID: 180006
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: c1(ccc(cn1)CO)Br
• Canonical SMILES: OCc1ccc(nc1)Br
• InChI: InChI=1S/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
• InChIKey: QPPDKOIDAYZUHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromopyridin-3-yl)methanol
• IUPAC Traditional name: (6-bromopyridin-3-yl)methanol
• Synonyms: 2-Bromo-5-(hydroxymethyl)pyridine; (6-BROMO-PYRIDIN-3-YL)METHANOL

Database IDs

• CAS Number: 122306-01-8
• PubChem SID: 164235916
• PubChem CID: 6421249

CALCULATED PROPERTIES

• Acid pKa: 14.642823
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96248263
• LogD (pH = 7.4): 0.96249807
• Log P: 0.96249825
• Molar Refractivity: 39.182 cm^3
• Polarizability: 14.843489 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: light yellow solid

Product Information

• Purity: 98%