2-chloro-4-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 33507
• Molecular Formular: C10H11ClN2O
• Molecular Mass: 210.66014
• Monoisotopic Mass: 210.05599066
• SMILES: C(=O)(N1CCCC1)c1cc(ncc1)Cl
• Canonical SMILES: Clc1nccc(c1)C(=O)N1CCCC1
• InChI: InChI=1S/C10H11ClN2O/c11-9-7-8(3-4-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
• InChIKey: PTHSPRAIXABXGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-chloro-4-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-chloro-4-(1-pyrrolidinylcarbonyl)pyridine; 1-(2-Chloro-4-pyridylcarbonyl)pyrrolidine; 2-Chloro-4-(pyrrolidin-1-ylcarbonyl)pyridine

Database IDs

• CAS Number: 720693-06-1
• MDL Number: MFCD09864597
• PubChem SID: 160996814
• PubChem CID: 25219248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2835846
• LogD (pH = 7.4): 1.2835851
• Log P: 1.2835852
• Molar Refractivity: 56.18 cm^3
• Polarizability: 20.866993 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-62
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%