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CHEMISTRY

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Chemistry

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Also known as: 175204-44-1, 2,5-dichloro-4,6-dimethylpyridine-3-carboxamide, 2,5-dichloro-4,6-dimethyl-nicotinamide, 3-pyridinecarboxamide, 2,5-dichloro-4,6-dimethyl-, 3-pyridinecarboxamide,2,5-dichloro-4,6-dimethyl-, Nsc341974

Molecular Formula

C₈H₈Cl₂N₂O

Molecular Weight

219.06 g/mol

InChI Key

IHXGELAZSSLGOE-UHFFFAOYSA-N

CAS 175204-44-1

1 2D Structure

CAS 175204-44-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C8H8Cl2N2O/c1-3-5(8(11)13)7(10)12-4(2)6(3)9/h1-2H3,(H2,11,13)

2.1.3 InChI Key

IHXGELAZSSLGOE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC(=C1Cl)C)Cl)C(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 175204-44-1

2. 2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

3. 2,5-dichloro-4,6-dimethyl-nicotinamide

4. 3-pyridinecarboxamide, 2,5-dichloro-4,6-dimethyl-

5. 3-pyridinecarboxamide,2,5-dichloro-4,6-dimethyl-

6. Nsc341974

7. Schembl21906012

8. Dtxsid10319216

9. Ihxgelazsslgoe-uhfffaoysa-n

10. Stk765511

11. Akos005616436

12. Am85413

13. Nsc-341974

14. Db-408709

15. Cs-0333843

16. G63940

17. 3-pyridinecarboxamide,5-dichloro-4,6-dimethyl-

18. 2,5-dichloro-4,6-dimethyl-3-pyridinecarboxamide

19. Sr-01000534267

20. Sr-01000534267-1

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₈Cl₂N₂O
Molecular Weight	219.06 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	56
Heavy Atom Count	13
Formal Charge	0
Complexity	212
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

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