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Ethyl 2-benzamidopyridine-3-carboxylate

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Name

Ethyl 2-benzamidopyridine-3-carboxylate

EINECS N/A
CAS No. 41803-50-3 Density 1.251 g/cm3
PSA 68.29000 LogP 2.58360
Solubility N/A Melting Point N/A
Formula C15H14N2O3 Boiling Point 346.5 °C at 760 mmHg
Molecular Weight 270.2833 Flash Point 163.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41803-50-3 (ethyl 2-(benzoylamino)nicotinate) Hazard Symbols N/A
Synonyms

Ethyl 2-(benzoylamino)nicotinate;

 

Ethyl 2-benzamidopyridine-3-carboxylate Specification

The Ethyl 2-benzamidopyridine-3-carboxylate, with the CAS registry number 41803-50-3, is also known as Ethyl 2-(benzoylamino)nicotinate. This chemical's molecular formula is C15H14N2O3 and molecular weight is 270.2833. What's more, its IUPAC name is Ethyl 2-benzamidopyridine-3-carboxylate.

Physical properties about Ethyl 2-benzamidopyridine-3-carboxylate are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.21; (6)ACD/BCF (pH 7.4): 128.39; (7)ACD/KOC (pH 5.5): 1122.75; (8)ACD/KOC (pH 7.4): 1124.31; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.5 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 75.32 cm3; (15)Molar Volume: 215.9 cm3; (16)Polarizability: 29.86×10-24 cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 163.4 °C; (20)Enthalpy of Vaporization: 59.07 kJ/mol; (21)Boiling Point: 346.5 °C at 760 mmHg; (22)Vapour Pressure: 5.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ncccc1C(=O)OCC)c2ccccc2
(2) InChI: InChI=1/C15H14N2O3/c1-2-20-15(19)12-9-6-10-16-13(12)17-14(18)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,17,18)
(3) InChIKey: SJRCBWAFYROSPB-UHFFFAOYAS

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