Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 833-113-6, Methyl 2-cyanoisonicotinate, 94413-64-6, 2-cyano-4-pyridine carboxylic acid methyl ester, Mfcd07367894, 2-cyano-4-pyridinecarboxylic acid methyl ester
Molecular Formula
C8H6N2O2
Molecular Weight
162.15  g/mol
InChI Key
ORVHMLCJEKDDAX-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-cyanopyridine-4-carboxylate
2.1.2 InChI
InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3
2.1.3 InChI Key
ORVHMLCJEKDDAX-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 833-113-6

2. Methyl 2-cyanoisonicotinate

3. 94413-64-6

4. 2-cyano-4-pyridine Carboxylic Acid Methyl Ester

5. Mfcd07367894

6. 2-cyano-4-pyridinecarboxylic Acid Methyl Ester

7. 4-pyridinecarboxylic Acid, 2-cyano-, Methyl Ester

8. Methyl2-cyanoisonicotinate

9. 4-pyridinecarboxylicacid, 2-cyano-, Methyl Ester

10. Schembl2224335

11. Dtxsid50478210

12. Orvhmlcjekddax-uhfffaoysa-n

13. Bcp09229

14. Akos006286048

15. Ab31346

16. Cs-w006243

17. Ac-14227

18. As-18621

19. Sy029349

20. Db-079874

21. En300-100141

22. Z1198172047

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 162.15 g/mol
Molecular Formula C8H6N2O2
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area63
Heavy Atom Count12
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1