[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane

C22H29Cl2F2NOSi — CID 159492450

IUPAC[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(Cl)cnc(C)c1Cl
InChIInChI=1S/C22H29Cl2F2NOSi/c1-5-29(6-2,7-3)28-20(21-19(23)14-27-15(4)22(21)24)10-8-9-16-11-17(25)13-18(26)12-16/h11-14,20H,5-10H2,1-4H3
InChIKeyLYJCCRFKMNHKDQ-UHFFFAOYSA-N
MW460.47 g/mol
LogP8.06
Rot. Bonds10

About [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane

[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane (PubChem CID 159492450) has the molecular formula C22H29Cl2F2NOSi and a molecular weight of 460.47 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
PubChem CID159492450
Molecular FormulaC22H29Cl2F2NOSi
Molecular Weight460.47 g/mol
Exact Mass459.14
IUPAC Name[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(Cl)cnc(C)c1Cl
InChIInChI=1S/C22H29Cl2F2NOSi/c1-5-29(6-2,7-3)28-20(21-19(23)14-27-15(4)22(21)24)10-8-9-16-11-17(25)13-18(26)12-16/h11-14,20H,5-10H2,1-4H3
InChIKeyLYJCCRFKMNHKDQ-UHFFFAOYSA-N
XLogP8.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 58.06
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-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The IUPAC name of [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane (CID 159492450) is [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane.
What is the SMILES notation for [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The canonical SMILES for [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCCc1cc(F)cc(F)c1)c1c(Cl)cnc(C)c1Cl.
What is the InChIKey of [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
The InChIKey is LYJCCRFKMNHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2F2NOSi/c1-5-29(6-2,7-3)28-20(21-19(23)14-27-15(4)22(21)24)10-8-9-16-11-17(25)13-18(26)12-16/h11-14,20H,5-10H2,1-4H3.
What are the key properties of [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane?
[1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane has a molecular weight of 460.47 g/mol, XLogP of 8.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane is sourced from PubChem (CID 159492450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).