CAS No.133627-46-0,2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)nicotinamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133627-46-0
Name:	2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)nicotinamide
Article Data:	6

Formula:	C₁₂H₉Cl₂N₃O
Molecular Weight:	282.129
Synonyms:	2-Chloro-N-(2-chloro-4-methyl-3-pyridyl)-3-pyridinecarboxamide;Picnic;
EINECS:	603-757-0
Density:	1.447 g/cm³
Melting Point:	189-191 °C
Boiling Point:	369.848 °C at 760 mmHg
Flash Point:	177.478 °C
Appearance:	Pale yellow solid
PSA:	54.88000
LogP:	3.41710

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Specification

The systematic name of 3-Pyridinecarboxamide,2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)- is 2-chloro-N-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide. With the CAS registry number 133627-46-0, it is also named as 2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide. The product's categories are Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. It is pale yellow solid which is an intermediate in the synthesis of Nivirapine.

The other characteristics of 3-Pyridinecarboxamide,2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)- can be summarized as: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 162; (8)ACD/KOC (pH 7.4): 162; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.88 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 71.626 cm³; (15)Molar Volume: 194.929 cm³; (16)Polarizability: 28.395×10^-24 cm³; (17)Surface Tension: 60.915 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 177.478 °C; (20)Enthalpy of Vaporization: 61.667 kJ/mol; (21)Boiling Point: 369.848 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc2nccc(c2NC(=O)c1cccnc1Cl)C
2. InChI:InChI=1/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)
3. InChIKey:UVCHGYJPZGYMSW-UHFFFAOYAK
4. Std. InChI:InChI=1S/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)
5. Std. InChIKey:UVCHGYJPZGYMSW-UHFFFAOYSA-N