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Chemistry

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Also known as: 133627-46-0, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide, 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide, 2-chloro-n-(2-chloro-4- methyl-3-pyridyl)-3-pyridine carboxamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl-3-pyridine) carboxamide(carboxamide)

Molecular Formula

C₁₂H₉Cl₂N₃O

Molecular Weight

282.12 g/mol

InChI Key

UVCHGYJPZGYMSW-UHFFFAOYSA-N

1 2D Structure

CAS 133627-46-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide

2.1.2 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)

2.1.3 InChI Key

UVCHGYJPZGYMSW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(N=CC=C2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 133627-46-0

2. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

3. 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide

4. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide

5. 2-chloro-n-(2-chloro-4- Methyl-3-pyridyl)-3-pyridine Carboxamide

6. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl-3-pyridine) Carboxamide(carboxamide)

7. 3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-

8. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)-3-pyridine Carboxamide

9. Schembl1923392

10. Dtxsid80439718

11. Mfcd09031256

12. Zinc21991766

13. Akos014828541

14. Ac-18950

15. As-17449

16. Db-000413

17. Cs-0186620

18. Ft-0645672

19. F16427

20. 627c460

21. A806653

22. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)nicotinamide

23. N-(2-chloro-4-methyl-3-pyridyl)-2-chloronicotinamide

24. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl) Nicotinamide

25. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)-nicotinamide

26. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridine Carboxamide

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₉Cl₂N₃O
Molecular Weight	282.12 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	281.0122673 g/mol
Monoisotopic Mass	281.0122673 g/mol
Topological Polar Surface Area	54.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1