6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone

C61H78Br4N8OSi — CID 160963568

About 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone

6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone (PubChem CID 160963568) has the molecular formula C61H78Br4N8OSi and a molecular weight of 1287.05 g/mol. Its IUPAC name is 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone.

Molecular Properties

• Compound Name: 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone
• PubChem CID: 160963568
• Molecular Formula: C61H78Br4N8OSi
• Molecular Weight: 1287.05 g/mol
• Exact Mass: 1282.28
• IUPAC Name: 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone
• SMILES: Brc1cnc2c(C3=CCCCC3)c[nH]c2c1.Brc1cnc2c(C3CCCCC3)c[nH]c2c1.Brc1cnc2cc[nH]c2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2ncc(Br)cc21.O=C1CCCCC1
• InChI: InChI=1S/C22H35BrN2Si.C13H15BrN2.C13H13BrN2.C7H5BrN2.C6H10O/c1-15(2)26(16(3)4,17(5)6)25-14-20(18-10-8-7-9-11-18)22-21(25)12-19(23)13-24-22;2*14-10-6-12-13(16-7-10)11(8-15-12)9-4-2-1-3-5-9;8-5-3-7-6(10-4-5)1-2-9-7;7-6-4-2-1-3-5-6/h12-18H,7-11H2,1-6H3;6-9,15H,1-5H2;4,6-8,15H,1-3,5H2;1-4,9H;1-5H2
• InChIKey: SXHYODRRCPIXTO-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 120.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.05
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone?

The IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone (CID 160963568) is 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone.

What is the SMILES notation for 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone?

The canonical SMILES for 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone is Brc1cnc2c(C3=CCCCC3)c[nH]c2c1.Brc1cnc2c(C3CCCCC3)c[nH]c2c1.Brc1cnc2cc[nH]c2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2ncc(Br)cc21.O=C1CCCCC1.

What is the InChIKey of 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone?

The InChIKey is SXHYODRRCPIXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BrN2Si.C13H15BrN2.C13H13BrN2.C7H5BrN2.C6H10O/c1-15(2)26(16(3)4,17(5)6)25-14-20(18-10-8-7-9-11-18)22-21(25)12-19(23)13-24-22;2*14-10-6-12-13(16-7-10)11(8-15-12)9-4-2-1-3-5-9;8-5-3-7-6(10-4-5)1-2-9-7;7-6-4-2-1-3-5-6/h12-18H,7-11H2,1-6H3;6-9,15H,1-5H2;4,6-8,15H,1-3,5H2;1-4,9H;1-5H2.

What are the key properties of 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone?

6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone has a molecular weight of 1287.05 g/mol, XLogP of 20.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[3,2-b]pyridine;6-bromo-3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine;(6-bromo-3-cyclohexylpyrrolo[3,2-b]pyridin-1-yl)-tri(propan-2-yl)silane;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanone is sourced from PubChem (CID 160963568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).