[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane

C22H31ClFNOSi — CID 158215374

IUPAC[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1ccc(F)cc1)c1c(C)cncc1Cl
InChIInChI=1S/C22H31ClFNOSi/c1-5-27(6-2,7-3)26-21(22-17(4)15-25-16-20(22)23)10-8-9-18-11-13-19(24)14-12-18/h11-16,21H,5-10H2,1-4H3
InChIKeyWUTRTBCVSVSYMO-UHFFFAOYSA-N
MW408.03 g/mol
LogP7.27
Rot. Bonds10

About [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane

[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane (PubChem CID 158215374) has the molecular formula C22H31ClFNOSi and a molecular weight of 408.03 g/mol. Its IUPAC name is [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane
PubChem CID158215374
Molecular FormulaC22H31ClFNOSi
Molecular Weight408.03 g/mol
Exact Mass407.18
IUPAC Name[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1ccc(F)cc1)c1c(C)cncc1Cl
InChIInChI=1S/C22H31ClFNOSi/c1-5-27(6-2,7-3)26-21(22-17(4)15-25-16-20(22)23)10-8-9-18-11-13-19(24)14-12-18/h11-16,21H,5-10H2,1-4H3
InChIKeyWUTRTBCVSVSYMO-UHFFFAOYSA-N
XLogP7.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.03
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane?
The IUPAC name of [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane (CID 158215374) is [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane.
What is the SMILES notation for [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane?
The canonical SMILES for [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCCc1ccc(F)cc1)c1c(C)cncc1Cl.
What is the InChIKey of [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane?
The InChIKey is WUTRTBCVSVSYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClFNOSi/c1-5-27(6-2,7-3)26-21(22-17(4)15-25-16-20(22)23)10-8-9-18-11-13-19(24)14-12-18/h11-16,21H,5-10H2,1-4H3.
What are the key properties of [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane?
[1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane has a molecular weight of 408.03 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-methyl-4-pyridinyl)-4-(4-fluorophenyl)butoxy]-triethylsilane is sourced from PubChem (CID 158215374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).