2,6-Bis(chloromethyl)pyridine

1 2D Structure

2,6-Bis(Chloromethyl)Pyridine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6-bis(chloromethyl)pyridine

2.1.2 InChI

InChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2

2.1.3 InChI Key

IWQNFYRJSVJWQA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC(=C1)CCl)CCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3099-28-3

2. Pyridine, 2,6-bis(chloromethyl)-

3. 2,6-bis-chloromethyl-pyridine

4. 2,6-dichloromethylpyridine Hydrochloride

5. Nsc244982

6. 2,6-di(chloromethyl)pyridine

7. Schembl734728

8. 2,6-bis-(chloromethyl)pyridine

9. Dtxsid30311712

10. Zinc1765603

11. Alpha,alpha'-dichloro-2,6-lutidine

12. Mfcd00142844

13. 2,6-bis(chloromethyl)pyridine, 99%

14. Akos015892147

15. Nsc-244982

16. As-60906

17. Ft-0753561

18. D78082

19. A820682

20. J-018217

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₇Cl₂N
Molecular Weight	176.04 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	174.9955546 g/mol
Monoisotopic Mass	174.9955546 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.6
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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