2-chloro-N-(5-methylpyridin-2-yl)acetamide

• ChemBase ID: 37176
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: c1(ncc(cc1)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cn1)C
• InChI: InChI=1S/C8H9ClN2O/c1-6-2-3-7(10-5-6)11-8(12)4-9/h2-3,5H,4H2,1H3,(H,10,11,12)
• InChIKey: RFGPQTBLGABJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(5-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(5-methylpyridin-2-yl)acetamide
• Synonyms: 2-Chloro-N-(5-methyl-2-pyridinyl)acetamide; 2-chloro-N-(5-methyl-2-pyridinyl)acetamide; 2-Chloro-N-(5-methylpyridin-2-yl)acetamide

Database IDs

• CAS Number: 143416-74-4
• MDL Number: MFCD03387827
• PubChem SID: 161000483
• PubChem CID: 5151119

CALCULATED PROPERTIES

• Acid pKa: 11.940913
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6024859
• LogD (pH = 7.4): 1.6380193
• Log P: 1.6385065
• Molar Refractivity: 48.872 cm^3
• Polarizability: 17.939697 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H9ClN2O

DETAILS

Sigma Aldrich - CBR00101

Other Notes
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Legal Information
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