CID 141431857

C6H2Br3OSi — CID 141431857

IUPAC—
SMILES[Si]Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C6H2Br3OSi/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H
InChIKeyPGCXYZPHAHIIHQ-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.44
Rot. Bonds1

About CID 141431857

CID 141431857 (PubChem CID 141431857) has the molecular formula C6H2Br3OSi and a molecular weight of 357.88 g/mol.

Molecular Properties

Compound NameCID 141431857
PubChem CID141431857
Molecular FormulaC6H2Br3OSi
Molecular Weight357.88 g/mol
Exact Mass354.74
IUPAC Name—
SMILES[Si]Oc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C6H2Br3OSi/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H
InChIKeyPGCXYZPHAHIIHQ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 141431857?
The IUPAC name of CID 141431857 (CID 141431857) is not available.
What is the SMILES notation for CID 141431857?
The canonical SMILES for CID 141431857 is [Si]Oc1ccc(Br)c(Br)c1Br.
What is the InChIKey of CID 141431857?
The InChIKey is PGCXYZPHAHIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3OSi/c7-3-1-2-4(10-11)6(9)5(3)8/h1-2H.
What are the key properties of CID 141431857?
CID 141431857 has a molecular weight of 357.88 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141431857 is sourced from PubChem (CID 141431857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).