2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane

C112H137F5N6O13Si2 — CID 158213602

About 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane

2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane (PubChem CID 158213602) has the molecular formula C112H137F5N6O13Si2 and a molecular weight of 1926.52 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane.

Molecular Properties

• Compound Name: 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane
• PubChem CID: 158213602
• Molecular Formula: C112H137F5N6O13Si2
• Molecular Weight: 1926.52 g/mol
• Exact Mass: 1924.97
• IUPAC Name: 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane
• SMILES: C.C.C.C.C.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1ccccc1.COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccccc1.COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1
• InChI: InChI=1S/C31H39FN2O3Si.C31H39FN2O2Si.C22H19FN2O2.C15H13FO3.C8H7FO3.5CH4/c1-20(2)38(21(3)4,22(5)6)34-18-26(24-14-11-15-33-31(24)34)30(35)25-16-28(36-7)29(17-27(25)32)37-19-23-12-9-8-10-13-23;1-21(2)37(22(3)4,23(5)6)34-19-26(27-14-11-15-33-31(27)34)16-25-17-29(35-7)30(18-28(25)32)36-20-24-12-9-8-10-13-24;1-26-20-11-16(10-17-13-25-22-18(17)8-5-9-24-22)19(23)12-21(20)27-14-15-6-3-2-4-7-15;1-18-14-7-12(9-17)13(16)8-15(14)19-10-11-5-3-2-4-6-11;1-12-8-2-5(4-10)6(9)3-7(8)11;;;;;/h8-18,20-22,30,35H,19H2,1-7H3;8-15,17-19,21-23H,16,20H2,1-7H3;2-9,11-13H,10,14H2,1H3,(H,24,25);2-9H,10H2,1H3;2-4,11H,1H3;5*1H4
• InChIKey: GCJINDDUVZBZLW-UHFFFAOYSA-N
• XLogP: 28.88
• TPSA: 221.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.52
LogP ≤ 5	28.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The IUPAC name of 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane (CID 158213602) is 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane.

What is the SMILES notation for 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The canonical SMILES for 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane is C.C.C.C.C.COc1cc(C(O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1.COc1cc(C=O)c(F)cc1O.COc1cc(C=O)c(F)cc1OCc1ccccc1.COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccccc1.COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1OCc1ccccc1.

What is the InChIKey of 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

The InChIKey is GCJINDDUVZBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN2O3Si.C31H39FN2O2Si.C22H19FN2O2.C15H13FO3.C8H7FO3.5CH4/c1-20(2)38(21(3)4,22(5)6)34-18-26(24-14-11-15-33-31(24)34)30(35)25-16-28(36-7)29(17-27(25)32)37-19-23-12-9-8-10-13-23;1-21(2)37(22(3)4,23(5)6)34-19-26(27-14-11-15-33-31(27)34)16-25-17-29(35-7)30(18-28(25)32)36-20-24-12-9-8-10-13-24;1-26-20-11-16(10-17-13-25-22-18(17)8-5-9-24-22)19(23)12-21(20)27-14-15-6-3-2-4-7-15;1-18-14-7-12(9-17)13(16)8-15(14)19-10-11-5-3-2-4-6-11;1-12-8-2-5(4-10)6(9)3-7(8)11;;;;;/h8-18,20-22,30,35H,19H2,1-7H3;8-15,17-19,21-23H,16,20H2,1-7H3;2-9,11-13H,10,14H2,1H3,(H,24,25);2-9H,10H2,1H3;2-4,11H,1H3;5*1H4.

What are the key properties of 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane?

2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane has a molecular weight of 1926.52 g/mol, XLogP of 28.88, 33 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-hydroxy-5-methoxybenzaldehyde;2-fluoro-5-methoxy-4-phenylmethoxybenzaldehyde;3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;[3-[(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;(2-fluoro-5-methoxy-4-phenylmethoxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanol;methane is sourced from PubChem (CID 158213602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).