ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate

C10H9F3N2O5 — CID 134682536

IUPACethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)8(20-10(11,12)13)14-7(6)15(17)18/h4H,3H2,1-2H3
InChIKeyAWYJTFALXMVOQD-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.37
Rot. Bonds4

About ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134682536) has the molecular formula C10H9F3N2O5 and a molecular weight of 294.19 g/mol. Its IUPAC name is ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134682536
Molecular FormulaC10H9F3N2O5
Molecular Weight294.19 g/mol
Exact Mass294.05
IUPAC Nameethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)8(20-10(11,12)13)14-7(6)15(17)18/h4H,3H2,1-2H3
InChIKeyAWYJTFALXMVOQD-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 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669478
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
ethyl 6-fluoro-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659773
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670205
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365
ethyl 4-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666796
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
ethyl 5-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665740
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134682536) is ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(C)c(OC(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is AWYJTFALXMVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O5/c1-3-19-9(16)6-4-5(2)8(20-10(11,12)13)14-7(6)15(17)18/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-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 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134682536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).