4-chloro-2-dimethylsilylbenzonitrile

C9H10ClNSi — CID 131715395

IUPAC4-chloro-2-dimethylsilylbenzonitrile
SMILESC[SiH](C)c1cc(Cl)ccc1C#N
InChIInChI=1S/C9H10ClNSi/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3
InChIKeyRZZFVCIHBKEUGZ-UHFFFAOYSA-N
MW195.72 g/mol
LogP1.91
Rot. Bonds1

About 4-chloro-2-dimethylsilylbenzonitrile

4-chloro-2-dimethylsilylbenzonitrile (PubChem CID 131715395) has the molecular formula C9H10ClNSi and a molecular weight of 195.72 g/mol. Its IUPAC name is 4-chloro-2-dimethylsilylbenzonitrile.

Molecular Properties

Compound Name4-chloro-2-dimethylsilylbenzonitrile
PubChem CID131715395
Molecular FormulaC9H10ClNSi
Molecular Weight195.72 g/mol
Exact Mass195.03
IUPAC Name4-chloro-2-dimethylsilylbenzonitrile
SMILESC[SiH](C)c1cc(Cl)ccc1C#N
InChIInChI=1S/C9H10ClNSi/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3
InChIKeyRZZFVCIHBKEUGZ-UHFFFAOYSA-N
XLogP1.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 789807
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CID 3071100
2-(4-Chlorophenyl)propiononitrile
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CID 2757845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-dimethylsilylbenzonitrile?
The IUPAC name of 4-chloro-2-dimethylsilylbenzonitrile (CID 131715395) is 4-chloro-2-dimethylsilylbenzonitrile.
What is the SMILES notation for 4-chloro-2-dimethylsilylbenzonitrile?
The canonical SMILES for 4-chloro-2-dimethylsilylbenzonitrile is C[SiH](C)c1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-dimethylsilylbenzonitrile?
The InChIKey is RZZFVCIHBKEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNSi/c1-12(2)9-5-8(10)4-3-7(9)6-11/h3-5,12H,1-2H3.
What are the key properties of 4-chloro-2-dimethylsilylbenzonitrile?
4-chloro-2-dimethylsilylbenzonitrile has a molecular weight of 195.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-dimethylsilylbenzonitrile is sourced from PubChem (CID 131715395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).