1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6-dichloro-5-fluoropyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)

2.1.3 InChI Key

ZVYNUGSPFZCYEV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=NC(=C1F)Cl)Cl)C(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 113237-20-0

2. 2,6-dichloro-5-fluoropyridine-3-carboxamide

3. 3-pyridinecarboxamide, 2,6-dichloro-5-fluoro-

4. Mfcd01571365

5. Schembl166218

6. Dtxsid30378845

7. Bcp32573

8. Zinc2574932

9. 2,6-dichloro-5-fluoro-nicotinamide

10. Akos015919604

11. Sb30778

12. Ss-4674

13. Ac-25121

14. Sy056741

15. Cs-0120187

16. A23602

17. An-668/25055006

18. 2,6-dichloro-5-fluoropyridine-3-carboxamide;3-pyridinecarboxamide, 2,6-dichloro-5-fluoro-

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₃Cl₂FN₂O
Molecular Weight	209.00 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	56
Heavy Atom Count	12
Formal Charge	0
Complexity	192
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

CAS 113237-20-0