2-chloro-N-(pyridin-2-yl)acetamide hydrochloride

• ChemBase ID: 164582
• Molecular Formular: C7H8Cl2N2O
• Molecular Mass: 207.05722
• Monoisotopic Mass: 206.00136825
• SMILES: c1ccc(nc1)NC(=O)CCl.Cl
• Canonical SMILES: ClCC(=O)Nc1ccccn1.Cl
• InChI: InChI=1S/C7H7ClN2O.ClH/c8-5-7(11)10-6-3-1-2-4-9-6;/h1-4H,5H2,(H,9,10,11);1H
• InChIKey: IWHUZGBQJAETDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(pyridin-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-(pyridin-2-yl)acetamide hydrochloride
• Synonyms: 2-Chloro-N-2-pyridinyl-acetamide Hydrochloride

Database IDs

• CAS Number: 929039-11-2
• PubChem SID: 162258717
• PubChem CID: 24201401

CALCULATED PROPERTIES

• Acid pKa: 11.828057
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1114126
• LogD (pH = 7.4): 1.1248941
• Log P: 1.1250851
• Molar Refractivity: 43.8308 cm^3
• Polarizability: 16.185558 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Dark Brown Solid