5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid

C9H5N5O6 — CID 114403073

IUPAC5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(-n2ccc([N+](=O)[O-])n2)n1
InChIInChI=1S/C9H5N5O6/c15-9(16)5-1-2-6(13(17)18)8(10-5)12-4-3-7(11-12)14(19)20/h1-4H,(H,15,16)
InChIKeyALWLWLKCCGSOOP-UHFFFAOYSA-N
MW279.17 g/mol
LogP0.78
Rot. Bonds4

About 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid

5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 114403073) has the molecular formula C9H5N5O6 and a molecular weight of 279.17 g/mol. Its IUPAC name is 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID114403073
Molecular FormulaC9H5N5O6
Molecular Weight279.17 g/mol
Exact Mass279.02
IUPAC Name5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(-n2ccc([N+](=O)[O-])n2)n1
InChIInChI=1S/C9H5N5O6/c15-9(16)5-1-2-6(13(17)18)8(10-5)12-4-3-7(11-12)14(19)20/h1-4H,(H,15,16)
InChIKeyALWLWLKCCGSOOP-UHFFFAOYSA-N
XLogP0.78
TPSA154.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
CID 115491066
2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61177578
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 104967595
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
3-nitro-1-phenylpyrazole
CID 12581098
6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 106836186
5-nitro-6-(5-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 114404077
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 102889214
6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid (CID 114403073) is 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(-n2ccc([N+](=O)[O-])n2)n1.
What is the InChIKey of 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is ALWLWLKCCGSOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O6/c15-9(16)5-1-2-6(13(17)18)8(10-5)12-4-3-7(11-12)14(19)20/h1-4H,(H,15,16).
What are the key properties of 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 279.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114403073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).