CID 67276890

C8H10ClN2Si — CID 67276890

IUPAC—
SMILESCNc1ccc([Si])c(Cl)c1NC
InChIInChI=1S/C8H10ClN2Si/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,10-11H,1-2H3
InChIKeyKPIKJZREQIOJJX-UHFFFAOYSA-N
MW197.72 g/mol
LogP1.22
Rot. Bonds2

About CID 67276890

CID 67276890 (PubChem CID 67276890) has the molecular formula C8H10ClN2Si and a molecular weight of 197.72 g/mol.

Molecular Properties

Compound NameCID 67276890
PubChem CID67276890
Molecular FormulaC8H10ClN2Si
Molecular Weight197.72 g/mol
Exact Mass197.03
IUPAC Name—
SMILESCNc1ccc([Si])c(Cl)c1NC
InChIInChI=1S/C8H10ClN2Si/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,10-11H,1-2H3
InChIKeyKPIKJZREQIOJJX-UHFFFAOYSA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.72
LogP ≤ 51.22
H-Bond Donors ≤ 52
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 CID 67276890?
The IUPAC name of CID 67276890 (CID 67276890) is not available.
What is the SMILES notation for CID 67276890?
The canonical SMILES for CID 67276890 is CNc1ccc([Si])c(Cl)c1NC.
What is the InChIKey of CID 67276890?
The InChIKey is KPIKJZREQIOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN2Si/c1-10-5-3-4-6(12)7(9)8(5)11-2/h3-4,10-11H,1-2H3.
What are the key properties of CID 67276890?
CID 67276890 has a molecular weight of 197.72 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67276890 is sourced from PubChem (CID 67276890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).