CID 172780881

C4H3FN3OSi — CID 172780881

IUPAC—
SMILESO=c1ncc(F)c(N[Si])[nH]1
InChIInChI=1S/C4H3FN3OSi/c5-2-1-6-4(9)7-3(2)8-10/h1H,(H2,6,7,8,9)
InChIKeyAGPIBHLUGZFYJR-UHFFFAOYSA-N
MW156.17 g/mol
LogP-0.60
Rot. Bonds1

About CID 172780881

CID 172780881 (PubChem CID 172780881) has the molecular formula C4H3FN3OSi and a molecular weight of 156.17 g/mol.

Molecular Properties

Compound NameCID 172780881
PubChem CID172780881
Molecular FormulaC4H3FN3OSi
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Name—
SMILESO=c1ncc(F)c(N[Si])[nH]1
InChIInChI=1S/C4H3FN3OSi/c5-2-1-6-4(9)7-3(2)8-10/h1H,(H2,6,7,8,9)
InChIKeyAGPIBHLUGZFYJR-UHFFFAOYSA-N
XLogP-0.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 172780881?
The IUPAC name of CID 172780881 (CID 172780881) is not available.
What is the SMILES notation for CID 172780881?
The canonical SMILES for CID 172780881 is O=c1ncc(F)c(N[Si])[nH]1.
What is the InChIKey of CID 172780881?
The InChIKey is AGPIBHLUGZFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN3OSi/c5-2-1-6-4(9)7-3(2)8-10/h1H,(H2,6,7,8,9).
What are the key properties of CID 172780881?
CID 172780881 has a molecular weight of 156.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172780881 is sourced from PubChem (CID 172780881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).