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Also known as: 245765-66-6, 5-bromo-n,3-dimethyl-2-pyridinamine, 5-bromo-3-methyl-2-(methylamino)pyridine, (5-bromo-3-methylpyridin-2-yl)methylamine, Schembl2967953, Dtxsid00592854
Molecular Formula
C7H9BrN2
Molecular Weight
201.06  g/mol
InChI Key
QTBNIBCNVQMGPP-UHFFFAOYSA-N

CAS 245765-66-6
1 2D Structure

CAS 245765-66-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-N,3-dimethylpyridin-2-amine
2.1.2 InChI
InChI=1S/C7H9BrN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
2.1.3 InChI Key
QTBNIBCNVQMGPP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CN=C1NC)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 245765-66-6

2. 5-bromo-n,3-dimethyl-2-pyridinamine

3. 5-bromo-3-methyl-2-(methylamino)pyridine

4. (5-bromo-3-methylpyridin-2-yl)methylamine

5. Schembl2967953

6. Dtxsid00592854

7. Vja76566

8. Mfcd10000482

9. Zinc42783835

10. Akos015834291

11. Am803577

12. Da-38915

13. N-(5-bromo-3-methyl-2-pyridyl)methylamine

14. Bb 0260325

15. Cs-0037390

16. Ft-0752628

17. (5-bromo-3-methyl-pyridin-2-yl)-methyl-amine

18. A877872

19. J-517034

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 201.06 g/mol
Molecular Formula C7H9BrN2
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass199.99491 g/mol
Monoisotopic Mass199.99491 g/mol
Topological Polar Surface Area24.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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