(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane

C16H24BrClN2Si — CID 90990532

IUPAC(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1nc2[nH]ccc2c(Cl)c1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H24BrClN2Si/c1-9(2)21(10(3)4,11(5)6)16-13(17)14(18)12-7-8-19-15(12)20-16/h7-11H,1-6H3,(H,19,20)
InChIKeyQLCLFTFUGVOFFF-UHFFFAOYSA-N
MW387.83 g/mol
LogP5.86
Rot. Bonds4

About (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane

(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane (PubChem CID 90990532) has the molecular formula C16H24BrClN2Si and a molecular weight of 387.83 g/mol. Its IUPAC name is (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane
PubChem CID90990532
Molecular FormulaC16H24BrClN2Si
Molecular Weight387.83 g/mol
Exact Mass386.06
IUPAC Name(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1nc2[nH]ccc2c(Cl)c1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H24BrClN2Si/c1-9(2)21(10(3)4,11(5)6)16-13(17)14(18)12-7-8-19-15(12)20-16/h7-11H,1-6H3,(H,19,20)
InChIKeyQLCLFTFUGVOFFF-UHFFFAOYSA-N
XLogP5.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.83
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-1H-pyrrolo[2,3-b]pyridine
CID 24229213
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
3-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 5523659
4-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 22273643
6-Bromo-7-azaindole
CID 11159915
6-Chloro-1H-pyrrolo[2,3-b]pyridine
CID 11344118
4-Chloro-1H-pyrrolo[2,3-b]pyridine
CID 11389493
4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 26076409
5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 20597429
5-Bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine
CID 45790372
4-Bromo-1-(triisopropylsilyl)-7-azaindole
CID 11473655
4-Chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 11550874

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane (CID 90990532) is (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane is CC(C)[Si](c1nc2[nH]ccc2c(Cl)c1Br)(C(C)C)C(C)C.
What is the InChIKey of (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane?
The InChIKey is QLCLFTFUGVOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2Si/c1-9(2)21(10(3)4,11(5)6)16-13(17)14(18)12-7-8-19-15(12)20-16/h7-11H,1-6H3,(H,19,20).
What are the key properties of (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane?
(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane has a molecular weight of 387.83 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 90990532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).