1 2D Structure

2D Structure

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 Formula	C₁₃H₁₈BN₅O₂
Molecular Weight	287.13 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	287.1553550 g/mol
Monoisotopic Mass	287.1553550 g/mol
Topological Polar Surface Area	75 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
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

CAS 1056039-83-8