DS-5670

Synopsis, Chemistry

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Also known as: 170230-27-0, 4-(pyridin-2-yl)phenylboronic acid, (4-pyridin-2-ylphenyl)boronic acid, 4-(2-pyridyl)phenylboronic acid, (4-(pyridin-2-yl)phenyl)boronicacid, Mfcd17013972

Molecular Formula

C₁₁H₁₀BNO₂

Molecular Weight

199.02 g/mol

InChI Key

BANFGGCAQWUIAJ-UHFFFAOYSA-N

1 2D Structure

DS-5670

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-pyridin-2-ylphenyl)boronic acid

2.1.2 InChI

InChI=1S/C11H10BNO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,14-15H

2.1.3 InChI Key

BANFGGCAQWUIAJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=CC=C(C=C1)C2=CC=CC=N2)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 170230-27-0

2. 4-(pyridin-2-yl)phenylboronic Acid

3. (4-pyridin-2-ylphenyl)boronic Acid

4. 4-(2-pyridyl)phenylboronic Acid

5. (4-(pyridin-2-yl)phenyl)boronicacid

6. Mfcd17013972

7. [4-(pyridin-2-yl)phenyl]boronic Acid

8. Schembl1370915

9. Amba00056

10. Dtxsid00597066

11. 4-(pyrid-2-yl)phenylboronic Acid

12. Vga23027

13. 4-(pyridine-2-yl)phenylboronic Acid

14. Akos015899891

15. Zinc169989635

16. Am85627

17. Ds-5670

18. Sy108300

19. Cs-0044952

20. O10096

21. A851600

22. 4-(pyridin-2-yl)phenylboronic Acid;(4-(pyridin-2-yl)phenyl)boronic Acid

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀BNO₂
Molecular Weight	199.02 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	199.0804587 g/mol
Monoisotopic Mass	199.0804587 g/mol
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
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