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Name |
2-Chloro-3-(piperidin-1-ylcarbonyl)pyridine |
EINECS | 243-367-4 |
CAS No. | 56149-33-8 | Density | 1.25 g/cm3 |
PSA | 33.20000 | LogP | 2.29900 |
Solubility | N/A | Melting Point |
61-62℃ |
Formula | C11H13ClN2O | Boiling Point | 387 °C at 760 mmHg |
Molecular Weight | 224.68672 | Flash Point | 187.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Chloronicotinoyl)pyridine; |
The 2-Chloro-3-(piperidin-1-ylcarbonyl)pyridine, with the CAS registry number 56149-33-8, is also known as Methanone, (2-chloro-3-pyridinyl)-1-piperidinyl-. Its EINECS registry number is 243-367-4. This chemical's molecular formula is C11H13ClN2O and molecular weight is 224.68672. Its IUPAC name is called (2-chloropyridin-3-yl)-piperidin-1-ylmethanone.
Physical properties of 2-Chloro-3-(piperidin-1-ylcarbonyl)pyridine: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 7.47; (5)ACD/BCF (pH 7.4): 7.47; (6)ACD/KOC (pH 5.5): 146.87; (7)ACD/KOC (pH 7.4): 146.87; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.573; (11)Molar Refractivity: 59.25 cm3; (12)Molar Volume: 179.7 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 187.9 °C; (16)Enthalpy of Vaporization: 63.6 kJ/mol; (17)Boiling Point: 387 °C at 760 mmHg; (18)Vapour Pressure: 3.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)C(=O)C2=C(N=CC=C2)Cl
(2)InChI: InChI=1S/C11H13ClN2O/c12-10-9(5-4-6-13-10)11(15)14-7-2-1-3-8-14/h4-6H,1-3,7-8H2
(3)InChIKey: PHTPEDJMJRDQMY-UHFFFAOYSA-N