tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

C88H80F14N6O13Si2 — CID 158451217

IUPACtert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESCC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1F.O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(O)c1F.Oc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Oc1ccc(F)cc1F
InChIInChI=1S/C19H11F2N3O2.C19H13F2N3O.C13H18F2O2Si.C12H12F2O4.C12H18F2OSi.C7H4F2O2.C6H4F2O/c20-14-3-4-15(25)17(21)16(14)18(26)13-9-24-19-12(13)6-11(8-23-19)10-2-1-5-22-7-10;20-16-3-4-17(25)18(21)15(16)7-13-10-24-19-14(13)6-12(9-23-19)11-2-1-5-22-8-11;1-13(2,3)18(4,5)17-11-7-6-10(14)9(8-16)12(11)15;1-12(2,3)18-11(16)17-9-5-4-8(13)7(6-15)10(9)14;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4/h1-9,25H,(H,23,24);1-6,8-10,25H,7H2,(H,23,24);6-8H,1-5H3;4-6H,1-3H3;6-8H,1-5H3;1-3,11H;1-3,9H
InChIKeyHDZVSZNBTVUDFU-UHFFFAOYSA-N
MW1751.78 g/mol
LogP22.79
Rot. Bonds14

About tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (PubChem CID 158451217) has the molecular formula C88H80F14N6O13Si2 and a molecular weight of 1751.78 g/mol. Its IUPAC name is tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Nametert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
PubChem CID158451217
Molecular FormulaC88H80F14N6O13Si2
Molecular Weight1751.78 g/mol
Exact Mass1750.51
IUPAC Nametert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
SMILESCC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1F.O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(O)c1F.Oc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Oc1ccc(F)cc1F
InChIInChI=1S/C19H11F2N3O2.C19H13F2N3O.C13H18F2O2Si.C12H12F2O4.C12H18F2OSi.C7H4F2O2.C6H4F2O/c20-14-3-4-15(25)17(21)16(14)18(26)13-9-24-19-12(13)6-11(8-23-19)10-2-1-5-22-7-10;20-16-3-4-17(25)18(21)15(16)7-13-10-24-19-14(13)6-12(9-23-19)11-2-1-5-22-8-11;1-13(2,3)18(4,5)17-11-7-6-10(14)9(8-16)12(11)15;1-12(2,3)18-11(16)17-9-5-4-8(13)7(6-15)10(9)14;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4/h1-9,25H,(H,23,24);1-6,8-10,25H,7H2,(H,23,24);6-8H,1-5H3;4-6H,1-3H3;6-8H,1-5H3;1-3,11H;1-3,9H
InChIKeyHDZVSZNBTVUDFU-UHFFFAOYSA-N
XLogP22.79
TPSA286.33 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.78
LogP ≤ 522.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol with MolForge

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Related Compounds

bis[4-(2,6-difluoro-3-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 174755822
2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate
CID 157137141
tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;2,4-difluoro-3-[1-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]phenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157458613
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-hydroxyphenyl)methanone;tert-butyl 5-bromo-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]-5-phenylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-3-hydroxyphenyl)-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 157650142
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-hydroxyphenyl)methanone;tert-butyl 5-bromo-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(2-fluoro-3-hydroxybenzoyl)-5-phenylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyloxy]benzoyl]-5-phenylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 158133693
(2,6-difluoro-3-hydroxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[2,6-difluoro-3-(pyridin-3-ylmethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;pyridin-3-ylmethanol
CID 158192854
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
4-chloro-1H-pyrrolo[2,3-b]pyridine;4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine;[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxyphenyl)methanone;[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-methoxyphenyl)methanone
CID 158217940
[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-ethoxy-3-hydroxyphenyl)-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluorophenyl)methanol;methane
CID 158298295
N-[3-[3-(2,6-difluoro-3-methoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[3-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 158324591
tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane
CID 158361881
2,4-difluorophenol;2,6-difluoro-3-phenylmethoxybenzaldehyde;2,4-difluoro-1-phenylmethoxybenzene;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;(2,6-difluoro-3-phenylmethoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 158654358

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The IUPAC name of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (CID 158451217) is tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The canonical SMILES for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is CC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1F.O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(O)c1F.Oc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Oc1ccc(F)cc1F.
What is the InChIKey of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
The InChIKey is HDZVSZNBTVUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2.C19H13F2N3O.C13H18F2O2Si.C12H12F2O4.C12H18F2OSi.C7H4F2O2.C6H4F2O/c20-14-3-4-15(25)17(21)16(14)18(26)13-9-24-19-12(13)6-11(8-23-19)10-2-1-5-22-7-10;20-16-3-4-17(25)18(21)15(16)7-13-10-24-19-14(13)6-12(9-23-19)11-2-1-5-22-8-11;1-13(2,3)18(4,5)17-11-7-6-10(14)9(8-16)12(11)15;1-12(2,3)18-11(16)17-9-5-4-8(13)7(6-15)10(9)14;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4/h1-9,25H,(H,23,24);1-6,8-10,25H,7H2,(H,23,24);6-8H,1-5H3;4-6H,1-3H3;6-8H,1-5H3;1-3,11H;1-3,9H.
What are the key properties of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?
tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol has a molecular weight of 1751.78 g/mol, XLogP of 22.79, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluorophenol;2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 158451217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).