CAS 1007089-84-0

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BUILDING BLOCK

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2 End Use APIs
3 Related Intermediates

Chemistry

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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

CAS 1007089-84-0

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 Formula	C₇H₉Cl₂N
Molecular Weight	178.06 g/mol
Hydrogen Bond Donor Count	1
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	10
Formal Charge	0
Complexity	85
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	2