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CAS 31255-57-9 manufacturers and suppliers on PharmaCompass

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CAS 31255-57-9
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

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
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