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Also known as: 1056039-83-8, 2-(2-methyl-2h-tetrazol-5-yl)pyridine-5-boronic acid pinacol ester, 2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, Schembl2147791, Amy30676, Bcp11710
Molecular Formula
C13H18BN5O2
Molecular Weight
287.13  g/mol
InChI Key
VOEFRGFXMMXFGK-UHFFFAOYSA-N

CAS 1056039-83-8
1 2D Structure

CAS 1056039-83-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2.1.2 InChI
InChI=1S/C13H18BN5O2/c1-12(2)13(3,4)21-14(20-12)9-6-7-10(15-8-9)11-16-18-19(5)17-11/h6-8H,1-5H3
2.1.3 InChI Key
VOEFRGFXMMXFGK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3=NN(N=N3)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1056039-83-8

2. 2-(2-methyl-2h-tetrazol-5-yl)pyridine-5-boronic Acid Pinacol Ester

3. 2-(2-methyltetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4. Schembl2147791

5. Amy30676

6. Bcp11710

7. Cs-m3230

8. Mfcd18382903

9. Zinc197927468

10. Da-15921

11. Ds-11372

12. Ft-0728918

13. J3.579.543j

14. A895983

15. 2-(2-methyl-2h-tetrazole-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine

2.3 Create Date
2009-07-15
3 Chemical and Physical Properties
Molecular Weight 287.13 g/mol
Molecular Formula C13H18BN5O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass287.1553550 g/mol
Monoisotopic Mass287.1553550 g/mol
Topological Polar Surface Area75 Ų
Heavy Atom Count21
Formal Charge0
Complexity379
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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