6-ethoxy-5-nitropyridine-2-carboxylic acid

C8H8N2O5 — CID 114403118

IUPAC6-ethoxy-5-nitropyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O5/c1-2-15-7-6(10(13)14)4-3-5(9-7)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyUFESKEREPOOAOV-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.09
Rot. Bonds4

About 6-ethoxy-5-nitropyridine-2-carboxylic acid

6-ethoxy-5-nitropyridine-2-carboxylic acid (PubChem CID 114403118) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 6-ethoxy-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-5-nitropyridine-2-carboxylic acid
PubChem CID114403118
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name6-ethoxy-5-nitropyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O5/c1-2-15-7-6(10(13)14)4-3-5(9-7)8(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyUFESKEREPOOAOV-UHFFFAOYSA-N
XLogP1.09
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.09
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-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-nitropyridine-2-carboxylic acid
CID 114403254
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 107656824
6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-[[6-(3-aminopropoxy)-5-nitropyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 171358404

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-ethoxy-5-nitropyridine-2-carboxylic acid (CID 114403118) is 6-ethoxy-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethoxy-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-ethoxy-5-nitropyridine-2-carboxylic acid is CCOc1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-ethoxy-5-nitropyridine-2-carboxylic acid?
The InChIKey is UFESKEREPOOAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-2-15-7-6(10(13)14)4-3-5(9-7)8(11)12/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 6-ethoxy-5-nitropyridine-2-carboxylic acid?
6-ethoxy-5-nitropyridine-2-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).