CID 164578009

C2H15BiNO9 — CID 164578009

IUPAC—
SMILESCCO[Bi]O[N+](=O)[O-].O.O.O.O.O
InChIInChI=1S/C2H5O.Bi.NO3.5H2O/c1-2-3;;2-1(3)4;;;;;/h2H2,1H3;;;5*1H2/q-1;+2;-1;;;;;
InChIKeyCJVALGSTVFOTTN-UHFFFAOYSA-N
MW406.12 g/mol
LogP-4.36
Rot. Bonds4

About CID 164578009

CID 164578009 (PubChem CID 164578009) has the molecular formula C2H15BiNO9 and a molecular weight of 406.12 g/mol.

Molecular Properties

Compound NameCID 164578009
PubChem CID164578009
Molecular FormulaC2H15BiNO9
Molecular Weight406.12 g/mol
Exact Mass406.06
IUPAC Name—
SMILESCCO[Bi]O[N+](=O)[O-].O.O.O.O.O
InChIInChI=1S/C2H5O.Bi.NO3.5H2O/c1-2-3;;2-1(3)4;;;;;/h2H2,1H3;;;5*1H2/q-1;+2;-1;;;;;
InChIKeyCJVALGSTVFOTTN-UHFFFAOYSA-N
XLogP-4.36
TPSA219.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 5-4.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164578009?
The IUPAC name of CID 164578009 (CID 164578009) is not available.
What is the SMILES notation for CID 164578009?
The canonical SMILES for CID 164578009 is CCO[Bi]O[N+](=O)[O-].O.O.O.O.O.
What is the InChIKey of CID 164578009?
The InChIKey is CJVALGSTVFOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O.Bi.NO3.5H2O/c1-2-3;;2-1(3)4;;;;;/h2H2,1H3;;;5*1H2/q-1;+2;-1;;;;;.
What are the key properties of CID 164578009?
CID 164578009 has a molecular weight of 406.12 g/mol, XLogP of -4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164578009 is sourced from PubChem (CID 164578009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).