1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine

C16H23BN2O2 — CID 175198522

IUPAC1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine
SMILESCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ncccc21
InChIInChI=1S/C16H23BN2O2/c1-11(2)19-10-12(14-13(19)8-7-9-18-14)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3
InChIKeyYOANMHNWKQZGNT-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.92
Rot. Bonds2

About 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine

1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine (PubChem CID 175198522) has the molecular formula C16H23BN2O2 and a molecular weight of 286.18 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine
PubChem CID175198522
Molecular FormulaC16H23BN2O2
Molecular Weight286.18 g/mol
Exact Mass286.19
IUPAC Name1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine
SMILESCC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ncccc21
InChIInChI=1S/C16H23BN2O2/c1-11(2)19-10-12(14-13(19)8-7-9-18-14)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3
InChIKeyYOANMHNWKQZGNT-UHFFFAOYSA-N
XLogP2.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 142725070
5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 172645210
N,N-dimethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxyethanamine
CID 123996425
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-tritylpyrrolo[2,3-b]pyrazine
CID 153405939
tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane
CID 11682465
5-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b]indole
CID 67094792
6-bromobenzo[h]quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
CID 162125390
3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine
CID 175198520
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445
3-(difluoromethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 131618120
5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 131748318
1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 163953280

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine (CID 175198522) is 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine is CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c2ncccc21.
What is the InChIKey of 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is YOANMHNWKQZGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN2O2/c1-11(2)19-10-12(14-13(19)8-7-9-18-14)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3.
What are the key properties of 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine?
1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 286.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175198522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).