5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde

C14H15Cl2NO2SSi — CID 140937202

IUPAC5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)OC(c1cccc(Cl)n1)c1cc(C=O)sc1Cl
InChIInChI=1S/C14H15Cl2NO2SSi/c1-21(2,3)19-13(11-5-4-6-12(15)17-11)10-7-9(8-18)20-14(10)16/h4-8,13H,1-3H3
InChIKeyBGVPLDWRFIFGFO-UHFFFAOYSA-N
MW360.34 g/mol
LogP5.20
Rot. Bonds5

About 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde

5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde (PubChem CID 140937202) has the molecular formula C14H15Cl2NO2SSi and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
PubChem CID140937202
Molecular FormulaC14H15Cl2NO2SSi
Molecular Weight360.34 g/mol
Exact Mass359.00
IUPAC Name5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
SMILESC[Si](C)(C)OC(c1cccc(Cl)n1)c1cc(C=O)sc1Cl
InChIInChI=1S/C14H15Cl2NO2SSi/c1-21(2,3)19-13(11-5-4-6-12(15)17-11)10-7-9(8-18)20-14(10)16/h4-8,13H,1-3H3
InChIKeyBGVPLDWRFIFGFO-UHFFFAOYSA-N
XLogP5.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde (CID 140937202) is 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde is C[Si](C)(C)OC(c1cccc(Cl)n1)c1cc(C=O)sc1Cl.
What is the InChIKey of 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
The InChIKey is BGVPLDWRFIFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2SSi/c1-21(2,3)19-13(11-5-4-6-12(15)17-11)10-7-9(8-18)20-14(10)16/h4-8,13H,1-3H3.
What are the key properties of 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde?
5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde has a molecular weight of 360.34 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 140937202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).