6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C11H9N5O5 — CID 63643071

IUPAC6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-4-9(14-15)16(20)21)13-8-3-1-2-7(12-8)11(18)19/h1-5H,6H2,(H,18,19)(H,12,13,17)
InChIKeyZXHNADOVHOBAIE-UHFFFAOYSA-N
MW291.22 g/mol
LogP0.52
Rot. Bonds5

About 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63643071) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63643071
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-4-9(14-15)16(20)21)13-8-3-1-2-7(12-8)11(18)19/h1-5H,6H2,(H,18,19)(H,12,13,17)
InChIKeyZXHNADOVHOBAIE-UHFFFAOYSA-N
XLogP0.52
TPSA140.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 87023971
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
2-(3-nitropyrazol-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 87025087
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanedioic acid
CID 62112095
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 78986511
5-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
CID 62033038

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 63643071) is 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is ZXHNADOVHOBAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-10(6-15-5-4-9(14-15)16(20)21)13-8-3-1-2-7(12-8)11(18)19/h1-5H,6H2,(H,18,19)(H,12,13,17).
What are the key properties of 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 291.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).