6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C11H9N5O5 — CID 63642913

IUPAC6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-7(4-12-15)16(20)21)14-9-3-1-2-8(13-9)11(18)19/h1-5H,6H2,(H,18,19)(H,13,14,17)
InChIKeyGXUFCNMSHIKPHQ-UHFFFAOYSA-N
MW291.22 g/mol
LogP0.52
Rot. Bonds5

About 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63642913) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63642913
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-7(4-12-15)16(20)21)14-9-3-1-2-8(13-9)11(18)19/h1-5H,6H2,(H,18,19)(H,13,14,17)
InChIKeyGXUFCNMSHIKPHQ-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-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474344
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284156
N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 1256176
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515965
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 63642913) is 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is GXUFCNMSHIKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-10(6-15-5-7(4-12-15)16(20)21)14-9-3-1-2-8(13-9)11(18)19/h1-5H,6H2,(H,18,19)(H,13,14,17).
What are the key properties of 6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
6-[[2-(4-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-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).