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CAS 169905-10-6
Also known as: 169905-10-6, 2-chloromethyl-3,4-dimethoxypyridine, 2-chloromethyl-3,4-dimethoxy pyridine hydrochloride, 3,4-dimethoxy-2-chloromethylpyridine, 2-chloromethyl-3,4-dimethoxy pyridine, Schembl2690888
Molecular Formula
C8H10ClNO2
Molecular Weight
187.62  g/mol
InChI Key
ZWFCXDBCXGDDOM-UHFFFAOYSA-N

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 Weight 187.62 g/mol
Molecular Formula C8H10ClNO2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass187.0400063 g/mol
Monoisotopic Mass187.0400063 g/mol
Topological Polar Surface Area31.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across the world, Kekule has always leveraged its strengths in basic chemistry as well as chemical engineering to deliver high quality APIs and Intermediates in time and at competitive prices. Our value based approach to business has been a foundation for a mutually beneficial long term relationship with our customers. Our employees, technology and infrastructure match the highest international standards.
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Pantoprazole Sodium
Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many...
Founded in 1986, Kekule has developed from a manufacturer of few molecules to a preferred vendor for many complex molecules requiring multistage synthesis. Working with customers across the world, Kekule has always leveraged its strengths in basic chemistry as well as chemical engineering to deliver high quality APIs and Intermediates in time and at competitive prices. Our value based approach to business has been a foundation for a mutually beneficial long term relationship with our customers. Our employees, technology and infrastructure match the highest international standards.
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