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2D Structure
Also known as: 1007089-84-0, 3-chloromethyl-5-methylpyridine hydrochloride, 3-(chloromethyl)-5-methylpyridine, hcl, 3-(chloromethyl)-5-methylpyridine;hydrochloride, Mfcd11656303, 3-(chloromethyl)-5-methylpyridine hcl
Molecular Formula
C7H9Cl2N
Molecular Weight
178.06  g/mol
InChI Key
NCAHREJYXFDWGE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(chloromethyl)-5-methylpyridine;hydrochloride
2.1.2 InChI
InChI=1S/C7H8ClN.ClH/c1-6-2-7(3-8)5-9-4-6;/h2,4-5H,3H2,1H3;1H
2.1.3 InChI Key
NCAHREJYXFDWGE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CN=C1)CCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1007089-84-0

2. 3-chloromethyl-5-methylpyridine Hydrochloride

3. 3-(chloromethyl)-5-methylpyridine, Hcl

4. 3-(chloromethyl)-5-methylpyridine;hydrochloride

5. Mfcd11656303

6. 3-(chloromethyl)-5-methylpyridine Hcl

7. 3-(chloromethyl)-5-methylpyridinehydrochloride

8. Schembl2419772

9. Dtxsid40647216

10. 3-choromethyl-5-methylpyridine Hcl

11. Bcp15251

12. Akos015846560

13. Cs-w021769

14. Hs-3001

15. Sb21491

16. Sy021371

17. Db-082415

18. Ft-0769478

19. 3-methyl-5-(chloromethyl)pyridine Hydrochloride

20. En300-170719

21. A897364

22. J-510841

23. 3-(chloromethyl)-5-methylpyridine--hydrogen Chloride (1/1)

24. Pyridine, 3-(chloromethyl)-5-methyl-, Hydrochloride (1:1)

25. 4(3,4-dichlorophenyl)1,2,3,4-tetrahydro-n-methyl-1-naphthaleneamineracemate

2.3 Create Date
2008-04-14
3 Chemical and Physical Properties
Molecular Weight 178.06 g/mol
Molecular Formula C7H9Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area12.9
Heavy Atom Count10
Formal Charge0
Complexity85
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2