2,5-dichloropyridine-3-carbonyl chloride

• ChemBase ID: 54060
• Molecular Formular: C6H2Cl3NO
• Molecular Mass: 210.44518
• Monoisotopic Mass: 208.92019673
• SMILES: c1(cnc(c(c1)C(=O)Cl)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)C(=O)Cl)Cl
• InChI: InChI=1S/C6H2Cl3NO/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H
• InChIKey: VRJMAKCJTSZUQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropyridine-3-carbonyl chloride
• IUPAC Traditional name: 2,5-dichloropyridine-3-carbonyl chloride
• Synonyms: 2,5-Dichloro-nicotinoyl chloride; 3-(Chlorocarbonyl)-2,5-dichloropyridine; 2,5-Dichloropyridine-3-carbonyl chloride; 2,5-Dichloronicotinoyl chloride; 2,5-dichloropyridine-3-carbonyl chloride

Database IDs

• CAS Number: 78686-87-0
• MDL Number: MFCD00210149
• PubChem SID: 162058823
• PubChem CID: 2799996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3747525
• LogD (pH = 7.4): 2.3747525
• Log P: 2.3747525
• Molar Refractivity: 45.6867 cm^3
• Polarizability: 17.232788 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%