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CAS 245765-66-6

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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 Formula	C₇H₉BrN₂
Molecular Weight	201.06 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	199.99491 g/mol
Monoisotopic Mass	199.99491 g/mol
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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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