(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane

C14H21BrN2OSi — CID 154639223

IUPAC(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2nc(Br)ccc2[nH]1
InChIInChI=1S/C14H21BrN2OSi/c1-14(2,3)19(4,5)18-9-10-8-12-11(16-10)6-7-13(15)17-12/h6-8,16H,9H2,1-5H3
InChIKeyNKNOOLWKJOJKPF-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.85
Rot. Bonds3

About (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane

(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 154639223) has the molecular formula C14H21BrN2OSi and a molecular weight of 341.33 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID154639223
Molecular FormulaC14H21BrN2OSi
Molecular Weight341.33 g/mol
Exact Mass340.06
IUPAC Name(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc2nc(Br)ccc2[nH]1
InChIInChI=1S/C14H21BrN2OSi/c1-14(2,3)19(4,5)18-9-10-8-12-11(16-10)6-7-13(15)17-12/h6-8,16H,9H2,1-5H3
InChIKeyNKNOOLWKJOJKPF-UHFFFAOYSA-N
XLogP4.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine
CID 155401553
2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 71285327
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol
CID 91214846
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
tert-butyl-dimethyl-[2-(5-methylsulfanyl-1H-indol-2-yl)ethoxy]silane
CID 139789073
2-bromo-4-[[tert-butyl(dimethyl)silyl]oxymethyl]benzaldehyde
CID 171089629
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
(4-bromofuran-2-yl)methoxy-tert-butyl-dimethylsilane
CID 68521066
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
2-[[tert-butyl(dimethyl)silyl]oxymethyl]quinolin-6-amine
CID 11994903

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane (CID 154639223) is (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc2nc(Br)ccc2[nH]1.
What is the InChIKey of (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is NKNOOLWKJOJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OSi/c1-14(2,3)19(4,5)18-9-10-8-12-11(16-10)6-7-13(15)17-12/h6-8,16H,9H2,1-5H3.
What are the key properties of (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane?
(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 341.33 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154639223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).