3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)

C81H92BrCl3F3N9O3Si2 — CID 159713206

About 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)

3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) (PubChem CID 159713206) has the molecular formula C81H92BrCl3F3N9O3Si2 and a molecular weight of 1539.12 g/mol. Its IUPAC name is 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane).

Molecular Properties

• Compound Name: 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)
• PubChem CID: 159713206
• Molecular Formula: C81H92BrCl3F3N9O3Si2
• Molecular Weight: 1539.12 g/mol
• Exact Mass: 1535.51
• IUPAC Name: 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)
• SMILES: CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1nc(CCc2ccccc2Cl)ccc1Br.Fc1nc(CCc2ccccc2Cl)ccc1Cc1c[nH]c2ncccc12.O=C(Cc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl.O=Cc1c[nH]c2ncccc12
• InChI: InChI=1S/C21H15ClFN3O2.C21H17ClFN3.C13H10BrClFN.2C9H22Si.C8H6N2O/c22-17-6-2-1-4-14(17)18(27)10-12-7-8-15(20(23)26-12)19(28)16-11-25-21-13(16)5-3-9-24-21;22-19-6-2-1-4-14(19)7-9-17-10-8-15(20(23)26-17)12-16-13-25-21-18(16)5-3-11-24-21;14-11-8-7-10(17-13(11)16)6-5-9-3-1-2-4-12(9)15;2*1-7(2)10(8(3)4)9(5)6;11-5-6-4-10-8-7(6)2-1-3-9-8/h1-9,11,19,28H,10H2,(H,24,25);1-6,8,10-11,13H,7,9,12H2,(H,24,25);1-4,7-8H,5-6H2;2*7-10H,1-6H3;1-5H,(H,9,10)
• InChIKey: MZCHNTNJZLDPFX-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 179.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1539.12
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The IUPAC name of 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) (CID 159713206) is 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane).

What is the SMILES notation for 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The canonical SMILES for 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) is CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1nc(CCc2ccccc2Cl)ccc1Br.Fc1nc(CCc2ccccc2Cl)ccc1Cc1c[nH]c2ncccc12.O=C(Cc1ccc(C(O)c2c[nH]c3ncccc23)c(F)n1)c1ccccc1Cl.O=Cc1c[nH]c2ncccc12.

What is the InChIKey of 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

The InChIKey is MZCHNTNJZLDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2.C21H17ClFN3.C13H10BrClFN.2C9H22Si.C8H6N2O/c22-17-6-2-1-4-14(17)18(27)10-12-7-8-15(20(23)26-12)19(28)16-11-25-21-13(16)5-3-9-24-21;22-19-6-2-1-4-14(19)7-9-17-10-8-15(20(23)26-17)12-16-13-25-21-18(16)5-3-11-24-21;14-11-8-7-10(17-13(11)16)6-5-9-3-1-2-4-12(9)15;2*1-7(2)10(8(3)4)9(5)6;11-5-6-4-10-8-7(6)2-1-3-9-8/h1-9,11,19,28H,10H2,(H,24,25);1-6,8,10-11,13H,7,9,12H2,(H,24,25);1-4,7-8H,5-6H2;2*7-10H,1-6H3;1-5H,(H,9,10).

What are the key properties of 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane)?

3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) has a molecular weight of 1539.12 g/mol, XLogP of 22.07, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-6-[2-(2-chlorophenyl)ethyl]-2-fluoropyridine;3-[[6-[2-(2-chlorophenyl)ethyl]-2-fluoro-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;1-(2-chlorophenyl)-2-[6-fluoro-5-[hydroxy(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-pyridinyl]ethanone;1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde;bis(tri(propan-2-yl)silane) is sourced from PubChem (CID 159713206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).