U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11FN2O3
Molecular Weight 286.2578
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4-FLUORO-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZOATE

SMILES

COC(=O)C1=C(OC2=CN=C3NC=CC3=C2)C=C(F)C=C1

InChI

InChIKey=WOXIJNIAUMZYEL-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
METHYL 4-FLUORO-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZOATE
Systematic Name English
METHYL 2-((1H-PYRROLO(2,3-B)PYRIDIN-5-YL)OXY)-4-FLUOROBENZOATE
Common Name English
BENZOIC ACID, 4-FLUORO-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
66713127
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
CAS
1235865-75-4
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
FDA UNII
A28MBT4L43
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966