CAS 17132-78-4

1 2D Structure

CAS 17132-78-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyridine-2,3-dicarbonitrile

2.1.2 InChI

InChI=1S/C7H3N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H

2.1.3 InChI Key

GHFGOVUYCKZOJH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(N=C1)C#N)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17132-78-4

2. 2,3-dicyanopyridine

3. 2,3-pyridinedicarbonitrile

4. Pyridine-2,3-dicarbonitirle

5. Dicyanopyridine

6. Pyridinedicarbonitrile

7. Schembl18611

8. Dtxsid00169060

9. Zinc5838523

10. Mfcd00191682

11. Akos000280006

12. Mb00858

13. Ac-14254

14. Bs-44107

15. Db-111713

16. Ft-0691371

17. P1218

18. T71913

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₃N₃
Molecular Weight	129.12 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	129.032697108 g/mol
Monoisotopic Mass	129.032697108 g/mol
Topological Polar Surface Area	60.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	203
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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