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

C20H21Cl3N4OSi — CID 125498209

IUPAC6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
SMILESC[Si](C)(C)CCOCn1cnc2c(Cc3c(Cl)cccc3Cl)nc(Cl)c(C#N)c21
InChIInChI=1S/C20H21Cl3N4OSi/c1-29(2,3)8-7-28-12-27-11-25-18-17(26-20(23)14(10-24)19(18)27)9-13-15(21)5-4-6-16(13)22/h4-6,11H,7-9,12H2,1-3H3
InChIKeyZPYBVATVEDBMFI-UHFFFAOYSA-N
MW467.86 g/mol
LogP6.17
Rot. Bonds7

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

6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile (PubChem CID 125498209) has the molecular formula C20H21Cl3N4OSi and a molecular weight of 467.86 g/mol. Its IUPAC name is 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
PubChem CID125498209
Molecular FormulaC20H21Cl3N4OSi
Molecular Weight467.86 g/mol
Exact Mass466.06
IUPAC Name6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
SMILESC[Si](C)(C)CCOCn1cnc2c(Cc3c(Cl)cccc3Cl)nc(Cl)c(C#N)c21
InChIInChI=1S/C20H21Cl3N4OSi/c1-29(2,3)8-7-28-12-27-11-25-18-17(26-20(23)14(10-24)19(18)27)9-13-15(21)5-4-6-16(13)22/h4-6,11H,7-9,12H2,1-3H3
InChIKeyZPYBVATVEDBMFI-UHFFFAOYSA-N
XLogP6.17
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.86
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The IUPAC name of 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile (CID 125498209) is 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The canonical SMILES for 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile is C[Si](C)(C)CCOCn1cnc2c(Cc3c(Cl)cccc3Cl)nc(Cl)c(C#N)c21.
What is the InChIKey of 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
The InChIKey is ZPYBVATVEDBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N4OSi/c1-29(2,3)8-7-28-12-27-11-25-18-17(26-20(23)14(10-24)19(18)27)9-13-15(21)5-4-6-16(13)22/h4-6,11H,7-9,12H2,1-3H3.
What are the key properties of 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile?
6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile has a molecular weight of 467.86 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,6-dichlorophenyl)methyl]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile is sourced from PubChem (CID 125498209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).