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380378-90-5

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Basic Information
CAS No.: 380378-90-5
Name: 5-Bromo-2-Chloro-N-[2-(Ethylamino)-3-Pyridinyl]-3-Pyridinecarboxamide
Article Data: 3
Molecular Structure:
Molecular Structure of 380378-90-5 (5-Bromo-2-Chloro-N-[2-(Ethylamino)-3-Pyridinyl]-3-Pyridinecarboxamide)
Formula: C13H12BrClN4O
Molecular Weight: 355.621
Synonyms: 2-Chloro-N-[2-(ethylamino)-3-pyridinyl]-5-bromo-3-pyridinecarboxamide;
Density: 1.621g/cm3
Boiling Point: 428.699 °C at 760 mmHg
Flash Point: 213.07 °C
PSA: 66.91000
LogP: 3.72260
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Specification

The 3-Pyridinecarboxamide,5-bromo-2-chloro-N-[2-(ethylamino)-3-pyridinyl]-, with CAS registry number 380378-90-5, has the systematic name of N-[2-(2-aminoethyl)-3-pyridyl]-5-bromo-2-chloro-pyridine-3-carboxamide. Besides this, it is also called 5-Bromo-2-Chloro-N-[2-(Ethylamino)-3-Pyridinyl]-3-Pyridinecarboxamide. And the chemical formula of this chemical is C13H12BrClN4O.

Physical properties of 3-Pyridinecarboxamide,5-bromo-2-chloro-N-[2-(ethylamino)-3-pyridinyl]-: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.41; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 80.9 Å2; (11)Index of Refraction: 1.678; (12)Molar Refractivity: 82.681 cm3; (13)Molar Volume: 219.382 cm3; (14)Polarizability: 32.777×10-24cm3; (15)Surface Tension: 66.8 dyne/cm; (16)Density: 1.621 g/cm3; (17)Flash Point: 213.07 °C; (18)Enthalpy of Vaporization: 68.387 kJ/mol; (19)Boiling Point: 428.699 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(nc1)CCN)NC(=O)c2cc(cnc2Cl)Br
(2)InChI: InChI=1/C13H12BrClN4O/c14-8-6-9(12(15)18-7-8)13(20)19-11-2-1-5-17-10(11)3-4-16/h1-2,5-7H,3-4,16H2,(H,19,20)
(3)InChIKey: CPZDPFSLOBCAOH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H12BrClN4O/c14-8-6-9(12(15)18-7-8)13(20)19-11-2-1-5-17-10(11)3-4-16/h1-2,5-7H,3-4,16H2,(H,19,20)
(5)Std. InChIKey: CPZDPFSLOBCAOH-UHFFFAOYSA-N