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

C33H34BrF9N6Si — CID 159646966

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

5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane (PubChem CID 159646966) has the molecular formula C33H34BrF9N6Si and a molecular weight of 793.65 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane.

Molecular Properties

• Compound Name: 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
• PubChem CID: 159646966
• Molecular Formula: C33H34BrF9N6Si
• Molecular Weight: 793.65 g/mol
• Exact Mass: 792.17
• IUPAC Name: 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(F)(F)F)ccnc21.FC(F)(F)c1c(Br)cnc2[nH]ccc12.FC(F)(F)c1ccnc2[nH]ccc12
• InChI: InChI=1S/C17H25F3N2Si.C8H4BrF3N2.C8H5F3N2/c1-11(2)23(12(3)4,13(5)6)22-10-8-14-15(17(18,19)20)7-9-21-16(14)22;9-5-3-14-7-4(1-2-13-7)6(5)8(10,11)12;9-8(10,11)6-2-4-13-7-5(6)1-3-12-7/h7-13H,1-6H3;1-3H,(H,13,14);1-4H,(H,12,13)
• InChIKey: MRBQSPWVOWZHRY-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 75.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.65
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?

The IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane (CID 159646966) is 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane.

What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?

The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(F)(F)F)ccnc21.FC(F)(F)c1c(Br)cnc2[nH]ccc12.FC(F)(F)c1ccnc2[nH]ccc12.

What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?

The InChIKey is MRBQSPWVOWZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2Si.C8H4BrF3N2.C8H5F3N2/c1-11(2)23(12(3)4,13(5)6)22-10-8-14-15(17(18,19)20)7-9-21-16(14)22;9-5-3-14-7-4(1-2-13-7)6(5)8(10,11)12;9-8(10,11)6-2-4-13-7-5(6)1-3-12-7/h7-13H,1-6H3;1-3H,(H,13,14);1-4H,(H,12,13).

What are the key properties of 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane?

5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane has a molecular weight of 793.65 g/mol, XLogP of 12.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane is sourced from PubChem (CID 159646966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).