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Also known as: 31255-57-9, 2-cyano-3-(3-chlorophenylethyl)pyridine, 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile, 3-(3-chlorophenethyl)picolinonitrile, 3-[2-(3-chlorophenyl)ethyl]-2-cyanopyridine, 3-[2-(3-chlorophenyl)-ethyl ]-pyridine carbonitrile
Molecular Formula
C14H11ClN2
Molecular Weight
242.70  g/mol
InChI Key
JPCGKKFEDUHGDF-UHFFFAOYSA-N

CAS 31255-57-9
1 2D Structure

CAS 31255-57-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile
2.1.2 InChI
InChI=1S/C14H11ClN2/c15-13-5-1-3-11(9-13)6-7-12-4-2-8-17-14(12)10-16/h1-5,8-9H,6-7H2
2.1.3 InChI Key
JPCGKKFEDUHGDF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)Cl)CCC2=C(N=CC=C2)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 31255-57-9

2. 2-cyano-3-(3-chlorophenylethyl)pyridine

3. 3-[2-(3-chlorophenyl)ethyl]pyridine-2-carbonitrile

4. 3-(3-chlorophenethyl)picolinonitrile

5. 3-[2-(3-chlorophenyl)ethyl]-2-cyanopyridine

6. 3-[2-(3-chlorophenyl)-ethyl ]-pyridine Carbonitrile

7. 3-(2-(3-chloro Phenyl)ethyl)-2-pyridine Carbonitrile

8. 3-[2-(3-chlorophenyl)ethyl]-2-pyridine Carbonitrile

9. 3-(2-(3-chlorophenyl)ethyl)-2-pyridine Carbonitrile

10. 2-pyridinecarbonitrile, 3-[2-(3-chlorophenyl)ethyl]-

11. Mls001178558

12. 2-pyridinecarbonitrile,3-[2-(3-chlorophenyl)ethyl]-

13. Amy016

14. Schembl6176675

15. Chembl1898966

16. Dtxsid30399570

17. Hms2778h11

18. Zinc4115683

19. Mfcd02942420

20. Akos005067481

21. 2-cyano-3-(3-chlorophenethyl)pyridine

22. Ac-15427

23. Bs-42470

24. Smr000475905

25. Cs-0359492

26. Ft-0654615

27. D97234

28. 255c579

29. 3-[2-(3-chlorophenyl)ethyl]pyridine Carbonitrile

30. Ae-641/11949211

31. 3-[2-(3chlorophenyl)ethyl]-2-pyridinecarbonitrile

32. J-018301

33. 3-[2-(3-chlorophenyl) Ethyl]-2-pyridinecarbonitrile

34. 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

35. 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbo-nitrile

2.3 Create Date
2005-09-13
3 Chemical and Physical Properties
Molecular Weight 242.70 g/mol
Molecular Formula C14H11ClN2
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass242.0610761 g/mol
Monoisotopic Mass242.0610761 g/mol
Topological Polar Surface Area36.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity283
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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