CAS 169905-10-6

1 2D Structure

CAS 169905-10-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(chloromethyl)-3,4-dimethoxypyridine

2.1.2 InChI

InChI=1S/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3

2.1.3 InChI Key

ZWFCXDBCXGDDOM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C(=NC=C1)CCl)OC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2-chloromethyl-3,4-dimethoxypyridine

2.2.2 Depositor-Supplied Synonyms

1. 169905-10-6

2. 2-chloromethyl-3,4-dimethoxypyridine

3. 2-chloromethyl-3,4-dimethoxy Pyridine Hydrochloride

4. 3,4-dimethoxy-2-chloromethylpyridine

5. 2-chloromethyl-3,4-dimethoxy Pyridine

6. Schembl2690888

7. Dtxsid401283942

8. Bcp33649

9. Zinc2578003

10. Bbl009930

11. Stk801348

12. 2-chloromethyl-3,4 Dimethoxy Pyridine

13. Akos005612968

14. As-10850

15. Db-043800

16. Cs-0529520

17. Ft-0643626

18. A811410

19. 2-(chloromethyl)-3,4-dimethoxypyridiniumhydrochloride

20. 2-(chloromethyl)-3,4-dimethoxy-pyridine;morpholine-4-carboximidamide Sulfate(2:1)

2.3 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀ClNO₂
Molecular Weight	187.62 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	187.0400063 g/mol
Monoisotopic Mass	187.0400063 g/mol
Topological Polar Surface Area	31.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
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

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