5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

C8H5F3N2O5 — CID 114403116

IUPAC5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O5/c9-8(10,11)3-18-6-5(13(16)17)2-1-4(12-6)7(14)15/h1-2H,3H2,(H,14,15)
InChIKeyWOPBYBZRERDSLM-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.63
Rot. Bonds4

About 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (PubChem CID 114403116) has the molecular formula C8H5F3N2O5 and a molecular weight of 266.13 g/mol. Its IUPAC name is 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
PubChem CID114403116
Molecular FormulaC8H5F3N2O5
Molecular Weight266.13 g/mol
Exact Mass266.02
IUPAC Name5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O5/c9-8(10,11)3-18-6-5(13(16)17)2-1-4(12-6)7(14)15/h1-2H,3H2,(H,14,15)
InChIKeyWOPBYBZRERDSLM-UHFFFAOYSA-N
XLogP1.63
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 114404148
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
CID 141419227
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
CID 155234464
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255
6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 107656824

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid (CID 114403116) is 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(OCC(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
The InChIKey is WOPBYBZRERDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O5/c9-8(10,11)3-18-6-5(13(16)17)2-1-4(12-6)7(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid?
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid has a molecular weight of 266.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114403116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).