6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid

C7H4F2N2O4 — CID 118809026

IUPAC6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H4F2N2O4/c8-6(9)5-4(11(14)15)2-1-3(10-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyINCOVTQROOZWSH-UHFFFAOYSA-N
MW218.12 g/mol
LogP1.63
Rot. Bonds3

About 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid

6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid (PubChem CID 118809026) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
PubChem CID118809026
Molecular FormulaC7H4F2N2O4
Molecular Weight218.12 g/mol
Exact Mass218.01
IUPAC Name6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H4F2N2O4/c8-6(9)5-4(11(14)15)2-1-3(10-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyINCOVTQROOZWSH-UHFFFAOYSA-N
XLogP1.63
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)sulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404746
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
6-(3-methylbutan-2-ylsulfanyl)-5-nitropyridine-2-carboxylic acid
CID 107747311
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
6-[(4-fluorophenyl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114403481
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
CID 114403255

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid (CID 118809026) is 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid?
The InChIKey is INCOVTQROOZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-6(9)5-4(11(14)15)2-1-3(10-5)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid?
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid has a molecular weight of 218.12 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 118809026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).