5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid

C10H8N4O5 — CID 103080470

IUPAC5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
SMILESCn1cc([N+](=O)[O-])c(Oc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C10H8N4O5/c1-13-5-8(14(17)18)9(12-13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16)
InChIKeyBUENEEIHFQWKMC-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.21
Rot. Bonds4

About 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid

5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid (PubChem CID 103080470) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
PubChem CID103080470
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC Name5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid
SMILESCn1cc([N+](=O)[O-])c(Oc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C10H8N4O5/c1-13-5-8(14(17)18)9(12-13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16)
InChIKeyBUENEEIHFQWKMC-UHFFFAOYSA-N
XLogP1.21
TPSA120.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid?
The IUPAC name of 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid (CID 103080470) is 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid is Cn1cc([N+](=O)[O-])c(Oc2cncc(C(=O)O)c2)n1.
What is the InChIKey of 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid?
The InChIKey is BUENEEIHFQWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5/c1-13-5-8(14(17)18)9(12-13)19-7-2-6(10(15)16)3-11-4-7/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid?
5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-4-nitropyrazol-3-yl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 103080470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).