[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine

C14H22FN3OSi — CID 86762617

IUPAC[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ccc2nc(CN)c(F)cc21
InChIInChI=1S/C14H22FN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-14(18)8-11(15)13(9-16)17-12/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyUTOPNQHEXFKKOW-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.95
Rot. Bonds6

About [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine

[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine (PubChem CID 86762617) has the molecular formula C14H22FN3OSi and a molecular weight of 295.43 g/mol. Its IUPAC name is [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
PubChem CID86762617
Molecular FormulaC14H22FN3OSi
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ccc2nc(CN)c(F)cc21
InChIInChI=1S/C14H22FN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-14(18)8-11(15)13(9-16)17-12/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyUTOPNQHEXFKKOW-UHFFFAOYSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
CID 175349192
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[[5-(3-methoxypropyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 174503664
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 90117077
trimethyl-[2-[[2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl]silane
CID 164880991
3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
CID 141450408
2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881265
7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
CID 155742443

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine?
The IUPAC name of [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine (CID 86762617) is [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine.
What is the SMILES notation for [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine?
The canonical SMILES for [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine is C[Si](C)(C)CCOCn1ccc2nc(CN)c(F)cc21.
What is the InChIKey of [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine?
The InChIKey is UTOPNQHEXFKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-14(18)8-11(15)13(9-16)17-12/h4-5,8H,6-7,9-10,16H2,1-3H3.
What are the key properties of [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine?
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine has a molecular weight of 295.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine is sourced from PubChem (CID 86762617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).