CID 158436799

C6H3N3O8Pb — CID 158436799

IUPAC—
SMILESO=[N+]([O-])c1cc(O)c([N+](=O)[O-])c(O)c1[N+](=O)[O-].[Pb]
InChIInChI=1S/C6H3N3O8.Pb/c10-3-1-2(7(12)13)4(8(14)15)6(11)5(3)9(16)17;/h1,10-11H;
InChIKeyHCICSBMPRYGZPA-UHFFFAOYSA-N
MW452.30 g/mol
LogP0.44
Rot. Bonds3

About CID 158436799

CID 158436799 (PubChem CID 158436799) has the molecular formula C6H3N3O8Pb and a molecular weight of 452.30 g/mol.

Molecular Properties

Compound NameCID 158436799
PubChem CID158436799
Molecular FormulaC6H3N3O8Pb
Molecular Weight452.30 g/mol
Exact Mass452.97
IUPAC Name—
SMILESO=[N+]([O-])c1cc(O)c([N+](=O)[O-])c(O)c1[N+](=O)[O-].[Pb]
InChIInChI=1S/C6H3N3O8.Pb/c10-3-1-2(7(12)13)4(8(14)15)6(11)5(3)9(16)17;/h1,10-11H;
InChIKeyHCICSBMPRYGZPA-UHFFFAOYSA-N
XLogP0.44
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 158436799?
The IUPAC name of CID 158436799 (CID 158436799) is not available.
What is the SMILES notation for CID 158436799?
The canonical SMILES for CID 158436799 is O=[N+]([O-])c1cc(O)c([N+](=O)[O-])c(O)c1[N+](=O)[O-].[Pb].
What is the InChIKey of CID 158436799?
The InChIKey is HCICSBMPRYGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O8.Pb/c10-3-1-2(7(12)13)4(8(14)15)6(11)5(3)9(16)17;/h1,10-11H;.
What are the key properties of CID 158436799?
CID 158436799 has a molecular weight of 452.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158436799 is sourced from PubChem (CID 158436799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).