CAS 1235865-75-4 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 1235865-75-4, Methyl 2-((1h-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate, Methyl 4-fluoro-2-{1h-pyrrolo[2,3-b]pyridin-5-yloxy}benzoate, Methyl 2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate, A28mbt4l43, Methyl 4-fluoro-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
Molecular Formula
C15H11FN2O3
Molecular Weight
286.26  g/mol
InChI Key
WOXIJNIAUMZYEL-UHFFFAOYSA-N
FDA UNII
A28MBT4L43

CAS 1235865-75-4
1 2D Structure

CAS 1235865-75-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
2.1.2 InChI
InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
2.1.3 InChI Key
WOXIJNIAUMZYEL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=C(C=C(C=C1)F)OC2=CN=C3C(=C2)C=CN3
2.2 Other Identifiers
2.2.1 UNII
A28MBT4L43
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1235865-75-4

2. Methyl 2-((1h-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate

3. Methyl 4-fluoro-2-{1h-pyrrolo[2,3-b]pyridin-5-yloxy}benzoate

4. Methyl 2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate

5. A28mbt4l43

6. Methyl 4-fluoro-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

7. Mfcd28129691

8. Methyl 2-((1h-pyrrolo(2,3-b)pyridin-5-yl)oxy)-4-fluorobenzoate

9. Methyl 4-fluoro-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)benzoate

10. Benzoic Acid, 4-fluoro-2-(1h-pyrrolo(2,3-b)pyridin-5-yloxy)-, Methyl Ester

11. Benzoic Acid, 4-fluoro-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)-, Methyl Ester

12. Unii-a28mbt4l43

13. Schembl523456

14. Amy4208

15. Bcp15204

16. Zinc114018543

17. Sb17746

18. Ac-29700

19. Da-33276

20. Ds-10364

21. Sy099617

22. Cs-0010861

23. Ft-0700760

24. Methyl2-((1h-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 286.26 g/mol
Molecular Formula C15H11FN2O3
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass286.07537038 g/mol
Monoisotopic Mass286.07537038 g/mol
Topological Polar Surface Area64.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty