4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol

C15H12N4O9 — CID 71372339

IUPAC4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol
SMILESCCOc1nccc2occc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO2.C6H3N3O7/c1-2-11-9-7-4-6-12-8(7)3-5-10-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2H2,1H3;1-2,10H
InChIKeyMLRUVAHBUHEDLG-UHFFFAOYSA-N
MW392.28 g/mol
LogP3.34
Rot. Bonds5

About 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol

4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol (PubChem CID 71372339) has the molecular formula C15H12N4O9 and a molecular weight of 392.28 g/mol. Its IUPAC name is 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol.

Molecular Properties

Compound Name4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol
PubChem CID71372339
Molecular FormulaC15H12N4O9
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol
SMILESCCOc1nccc2occc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO2.C6H3N3O7/c1-2-11-9-7-4-6-12-8(7)3-5-10-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2H2,1H3;1-2,10H
InChIKeyMLRUVAHBUHEDLG-UHFFFAOYSA-N
XLogP3.34
TPSA184.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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Related Compounds

2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
2-ethoxy-4,6-dinitrobenzene-1,3-diol
CID 139703790
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
2,3-diethoxy-4,6-dinitrophenol
CID 156633172
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol?
The IUPAC name of 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol (CID 71372339) is 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol.
What is the SMILES notation for 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol?
The canonical SMILES for 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol is CCOc1nccc2occc12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol?
The InChIKey is MLRUVAHBUHEDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C6H3N3O7/c1-2-11-9-7-4-6-12-8(7)3-5-10-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,2H2,1H3;1-2,10H.
What are the key properties of 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol?
4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol has a molecular weight of 392.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyfuro[3,2-c]pyridine;2,4,6-trinitrophenol is sourced from PubChem (CID 71372339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).