Pmc Isochem

CAS 850568-25-1

Chemistry, 2 End Use API, 14 Related Intermediates

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Also known as: 850568-25-1, (4-(pyridin-2-ylcarbamoyl)phenyl)boronic acid, 4-(pyridin-2-yl-aminocarbonyl)benzeneboronic acid, [4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid, {4-[(pyridin-2-yl)carbamoyl]phenyl}boronic acid, [4-[(pyridin-2-yl)carbamoyl]phenyl]boronic acid

Molecular Formula

C₁₂H₁₁BN₂O₃

Molecular Weight

242.04 g/mol

InChI Key

LEAZDTWQWNXKJM-UHFFFAOYSA-N

1 2D Structure

CAS 850568-25-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid

2.1.2 InChI

InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)

2.1.3 InChI Key

LEAZDTWQWNXKJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=CC=C(C=C1)C(=O)NC2=CC=CC=N2)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 850568-25-1

2. (4-(pyridin-2-ylcarbamoyl)phenyl)boronic Acid

3. 4-(pyridin-2-yl-aminocarbonyl)benzeneboronic Acid

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

5. {4-[(pyridin-2-yl)carbamoyl]phenyl}boronic Acid

6. [4-[(pyridin-2-yl)carbamoyl]phenyl]boronic Acid

7. 4-(2-pyridylcarbamoyl)benzeneboronic Acid

8. Schembl12419393

9. Dtxsid00657275

10. Amy12404

11. Bcp20516

12. Mfcd06659876

13. Akos015854354

14. Zinc169745545

15. Ab26533

16. Fd10192

17. Ncgc00249496-01

18. Ac-31345

19. As-55282

20. 4-(pyridin-2-ylcarbamoyl)phenylboronic Acid

21. Cs-0054526

22. 4-(?i/-2-?)?eo????"h

23. 4-(pyridin-2-yl-aminocarbonyl)benzeneboronic Aci

24. A853731

25. 4-(2-pyridylaminocarbonyl)phenylboronic Acid

26. (4-(pyridin-2-ylcarbamoyl)phenyl)boronicacid

27. 4-(pyridin-2-ylcarbamoyl)phenylboronic Acid;(4-(pyridin-2-ylcarbamoyl)phenyl)boronic Acid

2.3 Create Date

2009-07-21

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁BN₂O₃
Molecular Weight	242.04 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	242.0862724 g/mol
Monoisotopic Mass	242.0862724 g/mol
Topological Polar Surface Area	82.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	281
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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CAS Number

1148-11-4

End Use API

Acalabrutinib

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.