5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C13H17BN2O2
Molecular Weight
244.101
Description
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS# 754214-56-7) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NC=C3)N=C2
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10/h5-8H,1-4H3,(H,15,16)
InChI Key
UOXAMYZTYZLSCC-UHFFFAOYSA-N
Melting Point
243-248 °C
Flash Point
Not applicable
Purity
97 %
Density
1.154 g/cm3
Appearance
White powder
LogP
1.86210
Safety Information
Hazards
H302 + H312 + H332
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021257736-A1 | Methods for delaying, preventing, and treating acquired resistance to ras inhibitors | 2020-06-18 |
| WO-2021249913-A9 | 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer | 2020-06-09 |
| WO-2020215037-A1 | Combination with checkpoint inhibitors to treat cancer | 2019-04-18 |
| EP-3955923-A1 | Combination with checkpoint inhibitors to treat cancer | 2019-04-18 |
| WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| AU-2019398910-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 2018-12-14 |
| EP-3894398-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
