5-(pyridin-2-yl)thiophene-2-carbonyl chloride

• ChemBase ID: 80501
• Molecular Formular: C10H6ClNOS
• Molecular Mass: 223.67874
• Monoisotopic Mass: 222.9858625
• SMILES: s1c(ccc1c1ccccn1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccc(s1)c1ccccn1
• InChI: InChI=1S/C10H6ClNOS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H
• InChIKey: NAWHORNTKSFUCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(pyridin-2-yl)thiophene-2-carbonyl chloride
• IUPAC Traditional name: 5-(pyridin-2-yl)thiophene-2-carbonyl chloride
• Synonyms: 2-(Chlorocarbonyl)-5-(pyridin-2-yl)thiophene; 5-(Pyridin-2-yl)thiophene-2-carbonyl chloride; 5-(2-pyridinyl)-2-thiophenecarbonyl chloride

Database IDs

• CAS Number: 119082-98-3
• MDL Number: MFCD02091501
• PubChem SID: 162067621
• PubChem CID: 2776199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8872602
• LogD (pH = 7.4): 2.8891253
• Log P: 2.8891492
• Molar Refractivity: 56.454 cm^3
• Polarizability: 22.813253 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-143°C

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: 97%