ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate

C10H9F3N2O6 — CID 134670205

IUPACethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc([N+](=O)[O-])c(OC(F)(F)F)c1OC
InChIInChI=1S/C10H9F3N2O6/c1-3-20-9(16)5-4-14-8(15(17)18)7(6(5)19-2)21-10(11,12)13/h4H,3H2,1-2H3
InChIKeyLXIPYOMVOPQIKM-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.07
Rot. Bonds5

About ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134670205) has the molecular formula C10H9F3N2O6 and a molecular weight of 310.18 g/mol. Its IUPAC name is ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134670205
Molecular FormulaC10H9F3N2O6
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Nameethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc([N+](=O)[O-])c(OC(F)(F)F)c1OC
InChIInChI=1S/C10H9F3N2O6/c1-3-20-9(16)5-4-14-8(15(17)18)7(6(5)19-2)21-10(11,12)13/h4H,3H2,1-2H3
InChIKeyLXIPYOMVOPQIKM-UHFFFAOYSA-N
XLogP2.07
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.07
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

ethyl 2-[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668278
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679107
ethyl 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675689
ethyl 5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670328
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
ethyl 6-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679497
methyl 5-iodo-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666780
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
ethyl 2-methyl-5-nitro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662340
ethyl 3-methyl-5-nitro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677650

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate (CID 134670205) is ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cnc([N+](=O)[O-])c(OC(F)(F)F)c1OC.
What is the InChIKey of ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is LXIPYOMVOPQIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O6/c1-3-20-9(16)5-4-14-8(15(17)18)7(6(5)19-2)21-10(11,12)13/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 310.18 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134670205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).