5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver

C10H17AgBrN4O6 — CID 160578507

IUPAC5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver
SMILESN#CCCCCBr.N#CCCCCO[N+](=O)[O-].O=[N+]([O-])O.[Ag]
InChIInChI=1S/C5H8BrN.C5H8N2O3.Ag.HNO3/c6-4-2-1-3-5-7;6-4-2-1-3-5-10-7(8)9;;2-1(3)4/h1-4H2;1-3,5H2;;(H,2,3,4)
InChIKeyGSENGHUTXSRBNO-UHFFFAOYSA-N
MW477.04 g/mol
LogP2.61
Rot. Bonds8

About 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver

5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver (PubChem CID 160578507) has the molecular formula C10H17AgBrN4O6 and a molecular weight of 477.04 g/mol. Its IUPAC name is 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver.

Molecular Properties

Compound Name5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver
PubChem CID160578507
Molecular FormulaC10H17AgBrN4O6
Molecular Weight477.04 g/mol
Exact Mass474.94
IUPAC Name5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver
SMILESN#CCCCCBr.N#CCCCCO[N+](=O)[O-].O=[N+]([O-])O.[Ag]
InChIInChI=1S/C5H8BrN.C5H8N2O3.Ag.HNO3/c6-4-2-1-3-5-7;6-4-2-1-3-5-10-7(8)9;;2-1(3)4/h1-4H2;1-3,5H2;;(H,2,3,4)
InChIKeyGSENGHUTXSRBNO-UHFFFAOYSA-N
XLogP2.61
TPSA163.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.04
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver?
The IUPAC name of 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver (CID 160578507) is 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver.
What is the SMILES notation for 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver?
The canonical SMILES for 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver is N#CCCCCBr.N#CCCCCO[N+](=O)[O-].O=[N+]([O-])O.[Ag].
What is the InChIKey of 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver?
The InChIKey is GSENGHUTXSRBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN.C5H8N2O3.Ag.HNO3/c6-4-2-1-3-5-7;6-4-2-1-3-5-10-7(8)9;;2-1(3)4/h1-4H2;1-3,5H2;;(H,2,3,4).
What are the key properties of 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver?
5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver has a molecular weight of 477.04 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver is sourced from PubChem (CID 160578507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).