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Also known as: 2459-09-8, 4-pyridinecarboxylic acid, methyl ester, Isonicotinic acid methyl ester, 4-carbomethoxypyridine, Ah74gpr4ik, Unii-ah74gpr4ik
Molecular Formula
C7H7NO2
Molecular Weight
137.14  g/mol
InChI Key
OLXYLDUSSBULGU-UHFFFAOYSA-N
FDA UNII
AH74GPR4IK

CAS 2459-09-8
1 2D Structure

CAS 2459-09-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl pyridine-4-carboxylate
2.1.2 InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
2.1.3 InChI Key
OLXYLDUSSBULGU-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
AH74GPR4IK
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2459-09-8

2. 4-pyridinecarboxylic Acid, Methyl Ester

3. Isonicotinic Acid Methyl Ester

4. 4-carbomethoxypyridine

5. Ah74gpr4ik

6. Unii-ah74gpr4ik

7. Nsc-18257

8. Dtxsid9062433

9. Einecs 219-546-8

10. Nsc 18257

11. 4-pyridinecarboxylic Acid Methyl Ester

12. Pyridine-4-carboxylic Acid, Methyl Ester

13. 4methoxycarbonylpyridine

14. Methyl 4pyridinecarboxylate

15. Dtxcid5037103

16. 4pyridinecarboxylic Acid, Methyl Ester

17. Inchi=1/c11h9no/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12

18. Inchi=1/c7h7no2/c1-10-7(9)6-2-4-8-5-3-6/h2-5h,1h

19. Olxyldussbulgu-uhfffaoysa-n

20. Methyl Pyridine-4-carboxylate

21. Methylisonicotinate

22. 4-methoxycarbonylpyridine

23. 4-picolinic Acid Methyl Ester

24. Methyl 4-pyridinecarboxylate

25. Isonicotinic Acid, Methyl Ester

26. Mfcd00006427

27. Pyridine, 4-methoxycarbonyl-

28. I-nicotinic Acid, Methyl Ester

29. Pyridine-4-carboxylic Acid Methyl Ester

30. Methyl Isonicotinate, 98%

31. Schembl180574

32. Chembl2251612

33. Cs-d1405

34. Nsc18257

35. Str01059

36. Stl301861

37. Akos000121257

38. Ac-3093

39. Ps-3636

40. Db-002046

41. Db-012704

42. I0141

43. Ns00015763

44. En300-15483

45. Q63398365

46. F0001-0836

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 137.14 g/mol
Molecular Formula C7H7NO2
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area39.2
Heavy Atom Count10
Formal Charge0
Complexity119
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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