94413-64-6

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 7 Related Intermediates

1 Suppliers
1 End Use APIs
7 Related Intermediates

Chemistry

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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

94413-64-6

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 Formula	C₈H₆N₂O₂
Molecular Weight	162.15 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	63
Heavy Atom Count	12
Formal Charge	0
Complexity	218
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