1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol

C10H16ClNOSi — CID 130115911

IUPAC1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol
SMILESCC(O)c1nccc([Si](C)(C)C)c1Cl
InChIInChI=1S/C10H16ClNOSi/c1-7(13)10-9(11)8(5-6-12-10)14(2,3)4/h5-7,13H,1-4H3
InChIKeyBVWLYCPWICDRMV-UHFFFAOYSA-N
MW229.78 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol

1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol (PubChem CID 130115911) has the molecular formula C10H16ClNOSi and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol
PubChem CID130115911
Molecular FormulaC10H16ClNOSi
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol
SMILESCC(O)c1nccc([Si](C)(C)C)c1Cl
InChIInChI=1S/C10H16ClNOSi/c1-7(13)10-9(11)8(5-6-12-10)14(2,3)4/h5-7,13H,1-4H3
InChIKeyBVWLYCPWICDRMV-UHFFFAOYSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
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-4-trimethylsilyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol (CID 130115911) is 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol is CC(O)c1nccc([Si](C)(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol?
The InChIKey is BVWLYCPWICDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOSi/c1-7(13)10-9(11)8(5-6-12-10)14(2,3)4/h5-7,13H,1-4H3.
What are the key properties of 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol?
1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol has a molecular weight of 229.78 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-trimethylsilyl-2-pyridinyl)ethanol is sourced from PubChem (CID 130115911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).