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

C62H79Br4ClN8OSi — CID 158218974

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

bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone (PubChem CID 158218974) has the molecular formula C62H79Br4ClN8OSi and a molecular weight of 1335.52 g/mol. Its IUPAC name is bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone.

Molecular Properties

• Compound Name: bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone
• PubChem CID: 158218974
• Molecular Formula: C62H79Br4ClN8OSi
• Molecular Weight: 1335.52 g/mol
• Exact Mass: 1330.26
• IUPAC Name: bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone
• SMILES: Brc1cnc2[nH]cc(C3=CCCCC3)c2c1.Brc1cnc2[nH]cc(C3=CCCCC3)c2c1.Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCCCC2)c2cc(Br)cnc21.CCl.O=C1CCCCC1
• InChI: InChI=1S/C22H35BrN2Si.2C13H13BrN2.C7H5BrN2.C6H10O.CH3Cl/c1-15(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;2*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;1-2/h12-18H,7-11H2,1-6H3;2*4,6-8H,1-3,5H2,(H,15,16);1-4H,(H,9,10);1-5H2;1H3
• InChIKey: GCZYFEDTLDZGGY-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 120.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.52
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone (CID 158218974) is bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone.

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

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

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

The InChIKey is GCZYFEDTLDZGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BrN2Si.2C13H13BrN2.C7H5BrN2.C6H10O.CH3Cl/c1-15(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;2*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;1-2/h12-18H,7-11H2,1-6H3;2*4,6-8H,1-3,5H2,(H,15,16);1-4H,(H,9,10);1-5H2;1H3.

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

bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone has a molecular weight of 1335.52 g/mol, XLogP of 21.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-bromo-3-(cyclohexen-1-yl)-1H-pyrrolo[2,3-b]pyridine);(5-bromo-3-cyclohexylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;chloromethane;cyclohexanone is sourced from PubChem (CID 158218974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).