(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

C27H43BrN4OSi2 — CID 159272402

IUPAC(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi.C13H21BrN2Si/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3
InChIKeyKXWMCXYFHQVTOI-UHFFFAOYSA-N
MW575.74 g/mol
LogP7.47
Rot. Bonds3

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 159272402) has the molecular formula C27H43BrN4OSi2 and a molecular weight of 575.74 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID159272402
Molecular FormulaC27H43BrN4OSi2
Molecular Weight575.74 g/mol
Exact Mass574.22
IUPAC Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi.C13H21BrN2Si/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3
InChIKeyKXWMCXYFHQVTOI-UHFFFAOYSA-N
XLogP7.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.74
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-Butyl-dimethyl-silanyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 58730934
5-Bromo-2-(3,4-dimethylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 129253321
5-Bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 151223476
(5-Bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 158870238
(5-Bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-tributylstannyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
CID 159574067
(5-Bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;tert-butyl-dimethyl-(5-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)silane
CID 159729094
1-[Tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane
CID 159870526

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 159272402) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21.
What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is KXWMCXYFHQVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi.C13H21BrN2Si/c1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3.
What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde?
(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 575.74 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 159272402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).