(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C16H23Cl2N5Si — CID 100913363

IUPAC(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(N=[N+]=[N-])c(Cl)nc21
InChIInChI=1S/C16H23Cl2N5Si/c1-9(2)24(10(3)4,11(5)6)23-8-7-12-13(17)14(21-22-19)15(18)20-16(12)23/h7-11H,1-6H3
InChIKeyHHXWZBJNZVMZTM-UHFFFAOYSA-N
MW384.39 g/mol
LogP7.31
Rot. Bonds5

About (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 100913363) has the molecular formula C16H23Cl2N5Si and a molecular weight of 384.39 g/mol. Its IUPAC name is (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
PubChem CID100913363
Molecular FormulaC16H23Cl2N5Si
Molecular Weight384.39 g/mol
Exact Mass383.11
IUPAC Name(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(N=[N+]=[N-])c(Cl)nc21
InChIInChI=1S/C16H23Cl2N5Si/c1-9(2)24(10(3)4,11(5)6)23-8-7-12-13(17)14(21-22-19)15(18)20-16(12)23/h7-11H,1-6H3
InChIKeyHHXWZBJNZVMZTM-UHFFFAOYSA-N
XLogP7.31
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.39
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The IUPAC name of (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 100913363) is (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.
What is the SMILES notation for (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The canonical SMILES for (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(N=[N+]=[N-])c(Cl)nc21.
What is the InChIKey of (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
The InChIKey is HHXWZBJNZVMZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N5Si/c1-9(2)24(10(3)4,11(5)6)23-8-7-12-13(17)14(21-22-19)15(18)20-16(12)23/h7-11H,1-6H3.
What are the key properties of (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?
(5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 384.39 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-azido-4,6-dichloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 100913363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).