CAS 1008-89-5

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Also known as: 1008-89-5, Pyridine, 2-phenyl-, O-phenylpyridine, 2-phenyl-pyridine, 2-(phenyl-2-d)pyridine, Mfcd00006280

Molecular Formula

C₁₁H₉N

Molecular Weight

155.20 g/mol

InChI Key

VQGHOUODWALEFC-UHFFFAOYSA-N

FDA UNII

2Y6S09838Q

2-Phenylpyridine is a natural product found in Camellia sinensis with data available.

1 2D Structure

CAS 1008-89-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-phenylpyridine

2.1.2 InChI

InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H

2.1.3 InChI Key

VQGHOUODWALEFC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC=CC=N2

2.2 Other Identifiers

2.2.1 UNII

2Y6S09838Q

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1008-89-5

2. Pyridine, 2-phenyl-

3. O-phenylpyridine

4. 2-phenyl-pyridine

5. 2-(phenyl-2-d)pyridine

6. Mfcd00006280

7. Nsc-89291

8. 2y6s09838q

9. 372492-47-2

10. Phenylpyridine

11. Einecs 213-763-1

12. Nsc 89291

13. Phenyl Pyridine

14. Unii-2y6s09838q

15. 2-phenyl Pyridine

16. Nsc89291

17. 2-phenylpyridine, 98%

18. Schembl35754

19. Chembl1193163

20. Dtxsid6074417

21. Mfcd31699954

22. Akos005257841

23. Ac-5097

24. Am81313

25. Cs-w007468

26. As-14490

27. Bp-10684

28. Sy017662

29. Sy246291

30. Db-006211

31. Ft-0601233

32. Ns00023005

33. P1039

34. A16238

35. En300-105801

36. O10850

37. W-108933

38. Q18205048

39. Z1255464971

40. Inchi=1/c11h9n/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉N
Molecular Weight	155.20 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12.9
Heavy Atom Count	12
Formal Charge	0
Complexity	127
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