CID 18935206

C6H4ClN2OSi — CID 18935206

IUPAC—
SMILESNC(=O)c1c([Si])ccnc1Cl
InChIInChI=1S/C6H4ClN2OSi/c7-5-4(6(8)10)3(11)1-2-9-5/h1-2H,(H2,8,10)
InChIKeyVKEOEPMVIJKURT-UHFFFAOYSA-N
MW183.65 g/mol
LogP-0.37
Rot. Bonds1

About CID 18935206

CID 18935206 (PubChem CID 18935206) has the molecular formula C6H4ClN2OSi and a molecular weight of 183.65 g/mol.

Molecular Properties

Compound NameCID 18935206
PubChem CID18935206
Molecular FormulaC6H4ClN2OSi
Molecular Weight183.65 g/mol
Exact Mass182.98
IUPAC Name—
SMILESNC(=O)c1c([Si])ccnc1Cl
InChIInChI=1S/C6H4ClN2OSi/c7-5-4(6(8)10)3(11)1-2-9-5/h1-2H,(H2,8,10)
InChIKeyVKEOEPMVIJKURT-UHFFFAOYSA-N
XLogP-0.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.65
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18935206?
The IUPAC name of CID 18935206 (CID 18935206) is not available.
What is the SMILES notation for CID 18935206?
The canonical SMILES for CID 18935206 is NC(=O)c1c([Si])ccnc1Cl.
What is the InChIKey of CID 18935206?
The InChIKey is VKEOEPMVIJKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN2OSi/c7-5-4(6(8)10)3(11)1-2-9-5/h1-2H,(H2,8,10).
What are the key properties of CID 18935206?
CID 18935206 has a molecular weight of 183.65 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18935206 is sourced from PubChem (CID 18935206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).