2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

C30H39ClF6N4O4Si2 — CID 159103360

IUPAC2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1c(C(F)(F)F)cc2cc(C=O)cnc21.O=Cc1cnc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C15H19F3N2O2Si.C9H5F3N2O.C6H15ClOSi/c1-23(2,3)5-4-22-10-20-13(15(16,17)18)7-12-6-11(9-21)8-19-14(12)20;10-9(11,12)7-2-6-1-5(4-15)3-13-8(6)14-7;1-9(2,3)5-4-8-6-7/h6-9H,4-5,10H2,1-3H3;1-4H,(H,13,14);4-6H2,1-3H3
InChIKeyKDOJURUBGCAYDC-UHFFFAOYSA-N
MW725.28 g/mol
LogP9.11
Rot. Bonds11

About 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde

2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 159103360) has the molecular formula C30H39ClF6N4O4Si2 and a molecular weight of 725.28 g/mol. Its IUPAC name is 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID159103360
Molecular FormulaC30H39ClF6N4O4Si2
Molecular Weight725.28 g/mol
Exact Mass724.21
IUPAC Name2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESC[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1c(C(F)(F)F)cc2cc(C=O)cnc21.O=Cc1cnc2[nH]c(C(F)(F)F)cc2c1
InChIInChI=1S/C15H19F3N2O2Si.C9H5F3N2O.C6H15ClOSi/c1-23(2,3)5-4-22-10-20-13(15(16,17)18)7-12-6-11(9-21)8-19-14(12)20;10-9(11,12)7-2-6-1-5(4-15)3-13-8(6)14-7;1-9(2,3)5-4-8-6-7/h6-9H,4-5,10H2,1-3H3;1-4H,(H,13,14);4-6H2,1-3H3
InChIKeyKDOJURUBGCAYDC-UHFFFAOYSA-N
XLogP9.11
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.28
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 159103360) is 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is C[Si](C)(C)CCOCCl.C[Si](C)(C)CCOCn1c(C(F)(F)F)cc2cc(C=O)cnc21.O=Cc1cnc2[nH]c(C(F)(F)F)cc2c1.
What is the InChIKey of 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is KDOJURUBGCAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2Si.C9H5F3N2O.C6H15ClOSi/c1-23(2,3)5-4-22-10-20-13(15(16,17)18)7-12-6-11(9-21)8-19-14(12)20;10-9(11,12)7-2-6-1-5(4-15)3-13-8(6)14-7;1-9(2,3)5-4-8-6-7/h6-9H,4-5,10H2,1-3H3;1-4H,(H,13,14);4-6H2,1-3H3.
What are the key properties of 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde?
2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 725.28 g/mol, XLogP of 9.11, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 159103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).