5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid

C9H5N3O5S — CID 106921062

IUPAC5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Sc2ncco2)n1
InChIInChI=1S/C9H5N3O5S/c13-8(14)5-1-2-6(12(15)16)7(11-5)18-9-10-3-4-17-9/h1-4H,(H,13,14)
InChIKeyHXWNHYIOOYOZAF-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.83
Rot. Bonds4

About 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid

5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 106921062) has the molecular formula C9H5N3O5S and a molecular weight of 267.22 g/mol. Its IUPAC name is 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
PubChem CID106921062
Molecular FormulaC9H5N3O5S
Molecular Weight267.22 g/mol
Exact Mass266.99
IUPAC Name5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Sc2ncco2)n1
InChIInChI=1S/C9H5N3O5S/c13-8(14)5-1-2-6(12(15)16)7(11-5)18-9-10-3-4-17-9/h1-4H,(H,13,14)
InChIKeyHXWNHYIOOYOZAF-UHFFFAOYSA-N
XLogP1.83
TPSA119.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.83
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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Related Compounds

6-(2-fluorophenyl)sulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404746
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
6-(3-methylbutan-2-ylsulfanyl)-5-nitropyridine-2-carboxylic acid
CID 107747311
6-cyclopentylsulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404840
methyl 4-nitro-3-(1,3-oxazol-2-ylsulfanyl)benzoate
CID 106898494
2-nitro-6-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106920733
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
6-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 81132972
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
methyl 6-methylsulfanyl-5-nitropyridine-2-carboxylate
CID 114404806
4-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 103470163

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid (CID 106921062) is 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(Sc2ncco2)n1.
What is the InChIKey of 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is HXWNHYIOOYOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O5S/c13-8(14)5-1-2-6(12(15)16)7(11-5)18-9-10-3-4-17-9/h1-4H,(H,13,14).
What are the key properties of 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid?
5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 267.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106921062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).