(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane

C13H16ClNSi — CID 53235792

IUPAC(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)N1C=CCC(Cl)=C1
InChIInChI=1S/C13H16ClNSi/c1-16(2,13-8-4-3-5-9-13)15-10-6-7-12(14)11-15/h3-6,8-11H,7H2,1-2H3
InChIKeyUYHTUUAQPVXFEB-UHFFFAOYSA-N
MW249.82 g/mol
LogP3.40
Rot. Bonds2

About (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane

(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane (PubChem CID 53235792) has the molecular formula C13H16ClNSi and a molecular weight of 249.82 g/mol. Its IUPAC name is (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane.

Molecular Properties

Compound Name(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane
PubChem CID53235792
Molecular FormulaC13H16ClNSi
Molecular Weight249.82 g/mol
Exact Mass249.07
IUPAC Name(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)N1C=CCC(Cl)=C1
InChIInChI=1S/C13H16ClNSi/c1-16(2,13-8-4-3-5-9-13)15-10-6-7-12(14)11-15/h3-6,8-11H,7H2,1-2H3
InChIKeyUYHTUUAQPVXFEB-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane 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 (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane?
The IUPAC name of (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane (CID 53235792) is (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane.
What is the SMILES notation for (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane?
The canonical SMILES for (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)N1C=CCC(Cl)=C1.
What is the InChIKey of (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane?
The InChIKey is UYHTUUAQPVXFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNSi/c1-16(2,13-8-4-3-5-9-13)15-10-6-7-12(14)11-15/h3-6,8-11H,7H2,1-2H3.
What are the key properties of (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane?
(3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane has a molecular weight of 249.82 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4H-pyridin-1-yl)-dimethyl-phenylsilane is sourced from PubChem (CID 53235792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).