4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C109H110Br2F10N8O8Si2 — CID 158559991

About 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 158559991) has the molecular formula C109H110Br2F10N8O8Si2 and a molecular weight of 2066.09 g/mol. Its IUPAC name is 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• PubChem CID: 158559991
• Molecular Formula: C109H110Br2F10N8O8Si2
• Molecular Weight: 2066.09 g/mol
• Exact Mass: 2062.62
• IUPAC Name: 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
• SMILES: C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2cc(F)c(OCc3ccccc3)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Fc1cc(OCc2ccccc2)c(F)cc1Br.Fc1cc(OCc2ccccc2)c(F)cc1Cc1c[nH]c2ncccc12.OC(c1cc(F)c(OCc2ccccc2)cc1F)c1c[nH]c2ncccc12.Oc1cc(F)c(Br)cc1F
• InChI: InChI=1S/C30H36F2N2O2Si.C21H16F2N2O2.C21H16F2N2O.C17H26N2OSi.C13H9BrF2O.C6H3BrF2O.CH4/c1-19(2)37(20(3)4,21(5)6)34-17-25(23-13-10-14-33-30(23)34)29(35)24-15-27(32)28(16-26(24)31)36-18-22-11-8-7-9-12-22;22-17-10-19(27-12-13-5-2-1-3-6-13)18(23)9-15(17)20(26)16-11-25-21-14(16)7-4-8-24-21;22-18-11-20(26-13-14-5-2-1-3-6-14)19(23)10-15(18)9-16-12-25-21-17(16)7-4-8-24-21;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-10-6-12(16)13(7-11(10)15)17-8-9-4-2-1-3-5-9;7-3-1-5(9)6(10)2-4(3)8;/h7-17,19-21,29,35H,18H2,1-6H3;1-11,20,26H,12H2,(H,24,25);1-8,10-12H,9,13H2,(H,24,25);7-14H,1-6H3;1-7H,8H2;1-2,10H;1H4
• InChIKey: HQTLIZIMXWQMCW-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 207.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.09
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The IUPAC name of 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 158559991) is 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

What is the SMILES notation for 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The canonical SMILES for 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is C.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2cc(F)c(OCc3ccccc3)cc2F)c2cccnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cccnc21.Fc1cc(OCc2ccccc2)c(F)cc1Br.Fc1cc(OCc2ccccc2)c(F)cc1Cc1c[nH]c2ncccc12.OC(c1cc(F)c(OCc2ccccc2)cc1F)c1c[nH]c2ncccc12.Oc1cc(F)c(Br)cc1F.

What is the InChIKey of 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

The InChIKey is HQTLIZIMXWQMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N2O2Si.C21H16F2N2O2.C21H16F2N2O.C17H26N2OSi.C13H9BrF2O.C6H3BrF2O.CH4/c1-19(2)37(20(3)4,21(5)6)34-17-25(23-13-10-14-33-30(23)34)29(35)24-15-27(32)28(16-26(24)31)36-18-22-11-8-7-9-12-22;22-17-10-19(27-12-13-5-2-1-3-6-13)18(23)9-15(17)20(26)16-11-25-21-14(16)7-4-8-24-21;22-18-11-20(26-13-14-5-2-1-3-6-14)19(23)10-15(18)9-16-12-25-21-17(16)7-4-8-24-21;1-12(2)21(13(3)4,14(5)6)19-10-15(11-20)16-8-7-9-18-17(16)19;14-10-6-12(16)13(7-11(10)15)17-8-9-4-2-1-3-5-9;7-3-1-5(9)6(10)2-4(3)8;/h7-17,19-21,29,35H,18H2,1-6H3;1-11,20,26H,12H2,(H,24,25);1-8,10-12H,9,13H2,(H,24,25);7-14H,1-6H3;1-7H,8H2;1-2,10H;1H4.

What are the key properties of 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?

4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 2066.09 g/mol, XLogP of 29.76, 27 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2,5-difluorophenol;1-bromo-2,5-difluoro-4-phenylmethoxybenzene;3-[(2,5-difluoro-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;(2,5-difluoro-4-phenylmethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,5-difluoro-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane;1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 158559991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).