(2R)-2-hydroxy-2-(pyridin-2-yl)acetonitrile

• ChemBase ID: 799187
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: [C@H](C#N)(c1ncccc1)O
• Canonical SMILES: N#C[C@@H](c1ccccn1)O
• InChI: InChI=1S/C7H6N2O/c8-5-7(10)6-3-1-2-4-9-6/h1-4,7,10H/t7-/m0/s1
• InChIKey: QUNRUINSQUUCSU-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-hydroxy-2-(pyridin-2-yl)acetonitrile
• IUPAC Traditional name: (2R)-2-hydroxy-2-(pyridin-2-yl)acetonitrile
• Synonyms: (R)-2-hydroxy-2-(pyridin-2-yl)acetonitrile

Database IDs

• CAS Number: 466686-66-8

CALCULATED PROPERTIES

• Acid pKa: 11.065834
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.102294445
• LogD (pH = 7.4): 0.12161349
• Log P: 0.12196241
• Molar Refractivity: 35.1542 cm^3
• Polarizability: 13.578841 Å^3
• Polar Surface Area: 56.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%