1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-chloropyridin-3-yl)methanol

2.1.2 InChI

InChI=1S/C6H6ClNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2

2.1.3 InChI Key

HMPDWSBKPCOQDW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(N=C1)Cl)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42330-59-6

2. (2-chloro-3-pyridinyl)methanol

3. 2-chloro-3-pyridinylmethanol

4. 2-chloro-3-pyridinemethanol

5. 2-chloro-3-(hydroxymethyl)pyridine

6. 2-chloro-3-pyridinyl Methanol

7. (2-chloro-pyridin-3-yl)-methanol

8. Mfcd01935961

9. 2-chloro-3-hydroxymethylpyridine

10. (2-chloro-3-pyridyl)methanol

11. 2-chloropyridine-3-methanol

12. Schembl580627

13. (2-chloropyridin -3-yl)methanol

14. Dtxsid90377071

15. Hmpdwsbkpcoqdw-uhfffaoysa-n

16. 2-chloro-3-pyridylmethanol

17. Cs-d0980

18. 1-(2-chloro-pyridin-3-yl)methanol

19. 2-chloro-3-(hydroxymethyl)-pyridine

20. Cl0067

21. Akos005070072

22. 2l-375s

23. Ac-2919

24. Pb27555

25. Ncgc00322572-01

26. Sy003338

27. (2-chloro-3-pyridinyl)methanol, Aldrichcpr

28. Am20070280

29. C2590

30. Ft-0650466

31. En300-62117

32. Ab01318162-02

33. J-500722

34. Z979431808

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₆ClNO
Molecular Weight	143.57 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	33.1
Heavy Atom Count	9
Formal Charge	0
Complexity	89.1
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

CAS IN2763647

CAS IN2763647

CHEMISTRY

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