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171193-35-4

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Basic Information
CAS No.: 171193-35-4
Name: Ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
Article Data: 8
Molecular Structure:
Molecular Structure of 171193-35-4 (Ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate)
Formula: C11H11N3O2
Molecular Weight: 217.2239
Synonyms: ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate;1-(Pyridin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester;1-(2-pyridinyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
Density: 1.236g/cm3
Boiling Point: 354.026 °C at 760 mmHg
Flash Point: 167.909 °C
PSA: 57.01000
LogP: 1.44400
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Specification

The Ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, with CAS registry number 171193-35-4, has the systematic name of ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate. Its molecular weight is 217.2239. And the chemical formula of this chemical is C11H11N3O2.

Physical properties of Ethyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 98; (8)ACD/KOC (pH 7.4): 98; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.01 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 60.26 cm3; (15)Molar Volume: 175.806 cm3; (16)Polarizability: 23.889×10-24cm3; (17)Surface Tension: 47.044 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 167.909 °C; (20)Enthalpy of Vaporization: 59.902 kJ/mol; (21)Boiling Point: 354.026 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cn(nc1)c2ncccc2
(2)InChI: InChI=1/C11H11N3O2/c1-2-16-11(15)9-7-13-14(8-9)10-5-3-4-6-12-10/h3-8H,2H2,1H3
(3)InChIKey: DYPKAMXVXCKHIX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H11N3O2/c1-2-16-11(15)9-7-13-14(8-9)10-5-3-4-6-12-10/h3-8H,2H2,1H3
(5)Std. InChIKey: DYPKAMXVXCKHIX-UHFFFAOYSA-N