CAS 41288-96-4

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Also known as: 41288-96-4, 6-chloropyridin-3-ol, 6-chloro-3-pyridinol, 3-pyridinol, 6-chloro-, Mfcd00234050, 2-chloro-5-hydroxy pyridine

Molecular Formula

C₅H₄ClNO

Molecular Weight

129.54 g/mol

InChI Key

KVCOOWROABTXDJ-UHFFFAOYSA-N

1 2D Structure

CAS 41288-96-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloropyridin-3-ol

2.1.2 InChI

InChI=1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H

2.1.3 InChI Key

KVCOOWROABTXDJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 41288-96-4

2. 6-chloropyridin-3-ol

3. 6-chloro-3-pyridinol

4. 3-pyridinol, 6-chloro-

5. Mfcd00234050

6. 2-chloro-5-hydroxy Pyridine

7. 2-chloro-5-pyridinol

8. 6-chloropyridine-3-ol

9. 6-chloro-pyridin-3-ol

10. 5-hydroxy-2-chloropyridine

11. 2-chloro-5-hydroxy-pyridine

12. Schembl199726

13. Chembl3236918

14. Dtxsid50356120

15. Zinc335761

16. Act01291

17. Bcp22997

18. Cs-d0979

19. Bbl100861

20. Stl554655

21. Akos005255525

22. Ac-2884

23. Pb32188

24. Ps-6142

25. 2-chloro-5-hydroxypyridine, Aldrichcpr

26. Bp-10824

27. Sy003236

28. Db-006069

29. Am20061874

30. Ft-0601291

31. En300-52976

32. 288c964

33. Am-977/25004381

34. J-518649

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₄ClNO
Molecular Weight	129.54 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.9981414 g/mol
Monoisotopic Mass	128.9981414 g/mol
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.8
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