3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one

C8H7N3O3S — CID 53396679

IUPAC3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H7N3O3S/c12-8-10(3-4-15-8)7-2-1-6(5-9-7)11(13)14/h1-2,5H,3-4H2
InChIKeyOOOLRBMERVKWRU-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.66
Rot. Bonds2

About 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one

3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one (PubChem CID 53396679) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one
PubChem CID53396679
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H7N3O3S/c12-8-10(3-4-15-8)7-2-1-6(5-9-7)11(13)14/h1-2,5H,3-4H2
InChIKeyOOOLRBMERVKWRU-UHFFFAOYSA-N
XLogP1.66
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-(5-nitro-2-pyridinyl)-1,3-diazinane-2,4-dione
CID 166553476
5-nitro-2-pyrazolidin-1-ylpyridine
CID 130927658
1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715540
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
methyl 1-(5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694771

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one (CID 53396679) is 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one is O=C1SCCN1c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one?
The InChIKey is OOOLRBMERVKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c12-8-10(3-4-15-8)7-2-1-6(5-9-7)11(13)14/h1-2,5H,3-4H2.
What are the key properties of 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one?
3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one has a molecular weight of 225.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-2-pyridinyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 53396679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).