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

C9H6N4O4 — CID 115491066

IUPAC5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc([N+](=O)[O-])n2)cn1
InChIInChI=1S/C9H6N4O4/c14-9(15)7-2-1-6(5-10-7)12-4-3-8(11-12)13(16)17/h1-5H,(H,14,15)
InChIKeyOOJYTCRNKAIWCZ-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.87
Rot. Bonds3

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

5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid (PubChem CID 115491066) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
PubChem CID115491066
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2ccc([N+](=O)[O-])n2)cn1
InChIInChI=1S/C9H6N4O4/c14-9(15)7-2-1-6(5-10-7)12-4-3-8(11-12)13(16)17/h1-5H,(H,14,15)
InChIKeyOOJYTCRNKAIWCZ-UHFFFAOYSA-N
XLogP0.87
TPSA111.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
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

3-nitro-1-phenylpyrazole
CID 12581098
5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
CID 114403073
2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61177578
4-nitro-1-(6-propanoyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 107347095
3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine
CID 134589069
4-methyl-2-(3-nitropyrazol-1-yl)benzoic acid
CID 55107664
1-(3-chloro-4-nitrophenyl)pyrazole-3-carboxylic acid
CID 82864853
(3-nitropyrazol-1-yl)-phenylmethanone
CID 700133
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
1-(4,5-dimethyl-2-nitrophenyl)pyrazole-3-carboxylic acid
CID 62098951
(2S)-2-(3-nitropyrazol-1-yl)propanoic acid
CID 107427687
3-nitro-1-[3-(trifluoromethoxy)phenyl]pyrazole
CID 125489936

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid (CID 115491066) is 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-n2ccc([N+](=O)[O-])n2)cn1.
What is the InChIKey of 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is OOJYTCRNKAIWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c14-9(15)7-2-1-6(5-10-7)12-4-3-8(11-12)13(16)17/h1-5H,(H,14,15).
What are the key properties of 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid?
5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid has a molecular weight of 234.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).