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

C70H96Br4N8OSi2 — CID 162092980

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

5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone (PubChem CID 162092980) has the molecular formula C70H96Br4N8OSi2 and a molecular weight of 1441.38 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone.

Molecular Properties

• Compound Name: 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone
• PubChem CID: 162092980
• Molecular Formula: C70H96Br4N8OSi2
• Molecular Weight: 1441.38 g/mol
• Exact Mass: 1436.40
• IUPAC Name: 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone
• SMILES: Brc1cnc2[nH]cc(C3=CCCCC3)c2c1.Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21.O=C1CCCCC1
• InChI: InChI=1S/C22H35BrN2Si.C22H33BrN2Si.C13H13BrN2.C7H5BrN2.C6H10O/c2*1-15(2)26(16(3)4,17(5)6)25-14-21(18-10-8-7-9-11-18)20-12-19(23)13-24-22(20)25;14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9;8-6-3-5-1-2-9-7(5)10-4-6;7-6-4-2-1-3-5-6/h12-18H,7-11H2,1-6H3;10,12-17H,7-9,11H2,1-6H3;4,6-8H,1-3,5H2,(H,15,16);1-4H,(H,9,10);1-5H2
• InChIKey: ZDWCWNKBLCFEPF-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 110.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1441.38
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone (CID 162092980) is 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone.

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

The canonical SMILES for 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone is Brc1cnc2[nH]cc(C3=CCCCC3)c2c1.Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2=CCCCC2)c2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21.O=C1CCCCC1.

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

The InChIKey is ZDWCWNKBLCFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BrN2Si.C22H33BrN2Si.C13H13BrN2.C7H5BrN2.C6H10O/c2*1-15(2)26(16(3)4,17(5)6)25-14-21(18-10-8-7-9-11-18)20-12-19(23)13-24-22(20)25;14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9;8-6-3-5-1-2-9-7(5)10-4-6;7-6-4-2-1-3-5-6/h12-18H,7-11H2,1-6H3;10,12-17H,7-9,11H2,1-6H3;4,6-8H,1-3,5H2,(H,15,16);1-4H,(H,9,10);1-5H2.

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

5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone has a molecular weight of 1441.38 g/mol, XLogP of 23.78, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(cyclohexen-1-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;cyclohexanone is sourced from PubChem (CID 162092980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).