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

C9H6N4O4 — CID 61177578

IUPAC2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-n1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H6N4O4/c14-9(15)6-2-1-4-10-8(6)12-5-3-7(11-12)13(16)17/h1-5H,(H,14,15)
InChIKeyZKHGLSLKWPFUOP-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.87
Rot. Bonds3

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

2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 61177578) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID61177578
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-n1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H6N4O4/c14-9(15)6-2-1-4-10-8(6)12-5-3-7(11-12)13(16)17/h1-5H,(H,14,15)
InChIKeyZKHGLSLKWPFUOP-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

5-nitro-6-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
CID 114403073
4-methyl-2-(3-nitropyrazol-1-yl)benzoic acid
CID 55107664
3-nitro-1-phenylpyrazole
CID 12581098
5-(3-nitropyrazol-1-yl)pyridine-2-carboxylic acid
CID 115491066
2-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
CID 154814577
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
3-(4-nitroimidazol-1-yl)pyridazine-4-carboxylic acid
CID 80517400
(3-nitropyrazol-1-yl)-phenylmethanone
CID 700133
2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 84785993
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
CID 62351244
2-(3-nitro-1,2,4-triazol-1-yl)benzoic acid
CID 62231527

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid (CID 61177578) is 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-n1ccc([N+](=O)[O-])n1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ZKHGLSLKWPFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c14-9(15)6-2-1-4-10-8(6)12-5-3-7(11-12)13(16)17/h1-5H,(H,14,15).
What are the key properties of 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid?
2-(3-nitropyrazol-1-yl)pyridine-3-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 2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61177578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).