3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine

C13H11N3O6 — CID 133424666

IUPAC3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
SMILESCCOc1cc(Oc2cccnc2[N+](=O)[O-])ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O6/c1-2-21-12-8-9(5-6-10(12)15(17)18)22-11-4-3-7-14-13(11)16(19)20/h3-8H,2H2,1H3
InChIKeyPSZMILIILGXAAO-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.09
Rot. Bonds6

About 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine

3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine (PubChem CID 133424666) has the molecular formula C13H11N3O6 and a molecular weight of 305.25 g/mol. Its IUPAC name is 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine.

Molecular Properties

Compound Name3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
PubChem CID133424666
Molecular FormulaC13H11N3O6
Molecular Weight305.25 g/mol
Exact Mass305.06
IUPAC Name3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
SMILESCCOc1cc(Oc2cccnc2[N+](=O)[O-])ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O6/c1-2-21-12-8-9(5-6-10(12)15(17)18)22-11-4-3-7-14-13(11)16(19)20/h3-8H,2H2,1H3
InChIKeyPSZMILIILGXAAO-UHFFFAOYSA-N
XLogP3.09
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine
CID 133424660
4-(4-bromo-2-methylphenoxy)-2-ethoxy-1-nitrobenzene
CID 63670402
4-(3-ethoxy-4-nitrophenoxy)benzamide
CID 133425253
3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-fluoropyridine
CID 133429240
3-methoxy-2-nitropyridine
CID 556063
3-(3-ethoxy-4-nitrophenoxy)-5-methylpyrazole-1-carbaldehyde
CID 142163379
2,3-dinitropyridine;hydrazine
CID 175406944
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
3-(2,2-diethoxyethoxy)-2-nitropyridine
CID 63628584
2-chloro-1-(3-ethoxy-4-nitrophenoxy)-3-iodo-4-(trifluoromethyl)benzene
CID 174456095
3-decoxy-2-nitropyridine
CID 152620226
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine?
The IUPAC name of 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine (CID 133424666) is 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine.
What is the SMILES notation for 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine?
The canonical SMILES for 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine is CCOc1cc(Oc2cccnc2[N+](=O)[O-])ccc1[N+](=O)[O-].
What is the InChIKey of 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine?
The InChIKey is PSZMILIILGXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6/c1-2-21-12-8-9(5-6-10(12)15(17)18)22-11-4-3-7-14-13(11)16(19)20/h3-8H,2H2,1H3.
What are the key properties of 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine?
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine has a molecular weight of 305.25 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine is sourced from PubChem (CID 133424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).