4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile

C13H16Cl2N4OSi — CID 86725368

IUPAC4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
SMILESC[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)c(C#N)c21
InChIInChI=1S/C13H16Cl2N4OSi/c1-21(2,3)5-4-20-8-19-7-17-10-11(19)9(6-16)12(14)18-13(10)15/h7H,4-5,8H2,1-3H3
InChIKeyKYYKDXIURVIHBG-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.92
Rot. Bonds5

About 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile

4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile (PubChem CID 86725368) has the molecular formula C13H16Cl2N4OSi and a molecular weight of 343.29 g/mol. Its IUPAC name is 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
PubChem CID86725368
Molecular FormulaC13H16Cl2N4OSi
Molecular Weight343.29 g/mol
Exact Mass342.05
IUPAC Name4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
SMILESC[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)c(C#N)c21
InChIInChI=1S/C13H16Cl2N4OSi/c1-21(2,3)5-4-20-8-19-7-17-10-11(19)9(6-16)12(14)18-13(10)15/h7H,4-5,8H2,1-3H3
InChIKeyKYYKDXIURVIHBG-UHFFFAOYSA-N
XLogP3.92
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
CID 125498209
4-oxo-5-(3-phenoxypropyl)-6-phenyl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 68845627
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
6-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-7-amine
CID 178083288
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 59835019
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436040
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The IUPAC name of 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile (CID 86725368) is 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The canonical SMILES for 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile is C[Si](C)(C)CCOCn1cnc2c(Cl)nc(Cl)c(C#N)c21.
What is the InChIKey of 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The InChIKey is KYYKDXIURVIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4OSi/c1-21(2,3)5-4-20-8-19-7-17-10-11(19)9(6-16)12(14)18-13(10)15/h7H,4-5,8H2,1-3H3.
What are the key properties of 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile has a molecular weight of 343.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile is sourced from PubChem (CID 86725368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).