ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate

C10H9F3N2O5 — CID 134669478

IUPACethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)7(15(17)18)8(14-6)20-10(11,12)13/h4H,3H2,1-2H3
InChIKeyFILBBDACCHKYJO-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.37
Rot. Bonds4

About ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134669478) has the molecular formula C10H9F3N2O5 and a molecular weight of 294.19 g/mol. Its IUPAC name is ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134669478
Molecular FormulaC10H9F3N2O5
Molecular Weight294.19 g/mol
Exact Mass294.05
IUPAC Nameethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)7(15(17)18)8(14-6)20-10(11,12)13/h4H,3H2,1-2H3
InChIKeyFILBBDACCHKYJO-UHFFFAOYSA-N
XLogP2.37
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666796
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
ethyl 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133086018
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 4-nitro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096774
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
ethyl 2-methyl-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662332
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134669478) is ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1cc(C)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is FILBBDACCHKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)7(15(17)18)8(14-6)20-10(11,12)13/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 294.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134669478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).