The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate - 97%, high purity
Basic Description
Synonyms
1073338-93-8 | TERT-BUTYL 5-FLUORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE | MFCD12407271 | tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate | (1-(tert-Butoxyca
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Pyrrole carboxylic acids and derivatives Substituted pyrroles Pyridines and derivatives Aryl fluorides Boronic acid esters Dioxaborolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organometalloid compounds Organonitrogen compounds Organooxygen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyrrole-1-carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Pyridine - Substituted pyrrole - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Pyrrole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl 5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
INCHI
InChI=1S/C18H24BFN2O4/c1-16(2,3)24-15(23)22-10-13(12-8-11(20)9-21-14(12)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChIKey
APWKMCGPZCOCEQ-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=N3)F)C(=O)OC(C)(C)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
362.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
362.181 Da
Monoisotopic Mass
362.181 Da
Topological Polar Surface Area
62.600 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
550.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
