2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C14H18ClF3N2OSi — CID 162760836

IUPAC2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21
InChIInChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNRROBXHAIRQCAH-UHFFFAOYSA-N
MW350.84 g/mol
LogP5.02
Rot. Bonds5

About 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760836) has the molecular formula C14H18ClF3N2OSi and a molecular weight of 350.84 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID162760836
Molecular FormulaC14H18ClF3N2OSi
Molecular Weight350.84 g/mol
Exact Mass350.08
IUPAC Name2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21
InChIInChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3
InChIKeyNRROBXHAIRQCAH-UHFFFAOYSA-N
XLogP5.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.84
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-Methyl-1-(Triisopropylsilyl)-1H-Pyrrolo(2,3-B)Pyridine
CID 24229276
4-Chloro-5-fluoro-1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridine
CID 53438251
5-Chloro-4-fluoro-1-(tris(1-methylethyl)silyl)-1H-pyrrolo(2,3-b)pyridine
CID 60205273
2-[[4-Chloro-2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 71271911
4-chloro-2-iodo-5-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 71272036
4-Chloro-5-(trifluoromethyl)-1-[[2-(trimethylsilyl)ethoxy]methyl]-7-azaindole
CID 71277489
2-[(4-Fluoro-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169455
4-Chloro-3-fluoro-8-(1-propoxyethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 134952577
1-(methoxymethyl)-6-(1-(trifluoromethyl)cyclopropyl)-1H-pyrrolo[2,3-b]pyridine
CID 166636789
4,5-Dichloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 11256397
4-Chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
CID 11438272
4-Chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine
CID 11673589

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760836) is 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(C(F)(F)F)cc2c(Cl)ccnc21.
What is the InChIKey of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NRROBXHAIRQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2OSi/c1-22(2,3)7-6-21-9-20-12(14(16,17)18)8-10-11(15)4-5-19-13(10)20/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 350.84 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).