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2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine

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Name

2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine

EINECS N/A
CAS No. 60597-68-4 Density 1.3 g/cm3
PSA 33.20000 LogP 1.90890
Solubility N/A Melting Point N/A
Formula C10H11ClN2O Boiling Point 374.6 °C at 760 mmHg
Molecular Weight 210.663 Flash Point 180.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 60597-68-4 (2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine) Hazard Symbols Xn
Synonyms

2-Chloro(3-pyridyl) pyrrolidinyl ketone;2-Chloro-3-(1-pyrrolidinylcarbonyl)pyridine;Methanone, (2-chloro-3-pyridinyl)-1-pyrrolidinyl-;(2-Chloropyridin-3-yl)(pyrrolidin-1-yl)methanone;

Article Data 2

2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine Specification

The 2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine, with the CAS registry number 60597-68-4, is also known as 2-Chloro(3-pyridyl) pyrrolidinyl ketone. This chemical's molecular formula is C10H11ClN2O and molecular weight is 210.66. What's more, its IUPAC name is (2-Chloropyridin-3-yl)-pyrrolidin-1-ylmethanone.

Physical properties of 2-Chloro-3-(pyrrolidin-1-ylcarbonyl)pyridine are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 33.2 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 54.64 cm3; (9)Molar Volume: 161.9 cm3; (10)Polarizability: 21.66×10-24cm3; (11)Surface Tension: 53.7 dyne/cm; (12)Density: 1.3 g/cm3; (13)Flash Point: 180.3 °C; (14)Enthalpy of Vaporization: 62.2 kJ/mol; (15)Boiling Point: 374.6 °C at 760 mmHg; (16)Vapour Pressure: 8.26E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(Cl)nccc1)N2CCCC2
(2)Std. InChI: InChI=1S/C10H11ClN2O/c11-9-8(4-3-5-12-9)10(14)13-6-1-2-7-13/h3-5H,1-2,6-7H2
(3)Std. InChIKey: ILYOSYIJGVKBAA-UHFFFAOYSA-N

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