[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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Related Compounds

[1-(2-chloro-4,6-dimethylphenyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
CID 160665808
[1-(3-chloro-5-methyl-4-pyridinyl)-3-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.0]hexanyl]propoxy]-triethylsilane
CID 159162012
[1-(3,5-dichloro-4-pyridinyl)-4-[(2S,5R)-5-methyloxolan-2-yl]butoxy]-triethylsilane
CID 157322699
N-[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]-3,3-dimethylbutan-2-amine
CID 123329230
4-[1,5-bis(4-fluorophenyl)pentan-3-yl]-3-methylpyridine
CID 10831764
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
CID 145472925
4-[5-(3,4-dichlorophenyl)pentan-2-yl]-3-methylpyridine
CID 14883798
N-[(2S)-2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]spiro[3.3]heptan-2-amine
CID 125493616
1-(4-chloro-2,6-dimethylphenyl)ethoxy-triethylsilane
CID 123489978
4-[[[2-(3,5-dichloro-4-pyridinyl)-2-triethylsilyloxyethyl]amino]methyl]-1-methylcyclohexan-1-ol
CID 123654554
1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
CID 150917008
4-(4,4-difluorobutyl)pyridine
CID 141084245

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).