3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine

C9H11N3O4S — CID 71635607

IUPAC3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCNC1
InChIInChI=1S/C9H11N3O4S/c13-12(14)8-2-1-4-11-9(8)17(15,16)7-3-5-10-6-7/h1-2,4,7,10H,3,5-6H2/t7-/m0/s1
InChIKeyCLNQWAIUORHOSG-ZETCQYMHSA-N
MW257.27 g/mol
LogP0.13
Rot. Bonds3

About 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine

3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine (PubChem CID 71635607) has the molecular formula C9H11N3O4S and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
PubChem CID71635607
Molecular FormulaC9H11N3O4S
Molecular Weight257.27 g/mol
Exact Mass257.05
IUPAC Name3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
SMILESO=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCNC1
InChIInChI=1S/C9H11N3O4S/c13-12(14)8-2-1-4-11-9(8)17(15,16)7-3-5-10-6-7/h1-2,4,7,10H,3,5-6H2/t7-/m0/s1
InChIKeyCLNQWAIUORHOSG-ZETCQYMHSA-N
XLogP0.13
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-2-piperidin-3-ylsulfonylpyridine
CID 71635609
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
2-cyclopropylsulfonyl-3-nitropyridine
CID 153380489
N-cyclopropyl-3-nitropyridine-2-sulfonamide
CID 71650427
1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine
CID 71635629
(2S)-1-[(3-nitro-2-pyridinyl)sulfonyl]piperazine-2-carboxylic acid
CID 97166524
3-bromo-2-piperidin-3-ylsulfonylpyridine;hydrochloride
CID 90319707
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine
CID 97177793
3-bromo-2-piperidin-4-ylsulfonylpyridine;hydrochloride
CID 90320188
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The IUPAC name of 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine (CID 71635607) is 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine.
What is the SMILES notation for 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The canonical SMILES for 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine is O=[N+]([O-])c1cccnc1S(=O)(=O)[C@H]1CCNC1.
What is the InChIKey of 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
The InChIKey is CLNQWAIUORHOSG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11N3O4S/c13-12(14)8-2-1-4-11-9(8)17(15,16)7-3-5-10-6-7/h1-2,4,7,10H,3,5-6H2/t7-/m0/s1.
What are the key properties of 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine?
3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine has a molecular weight of 257.27 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[(3S)-pyrrolidin-3-yl]sulfonylpyridine is sourced from PubChem (CID 71635607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).