5-nitro-2-piperidin-4-ylsulfanylpyridine

C10H13N3O2S — CID 71303792

IUPAC5-nitro-2-piperidin-4-ylsulfanylpyridine
SMILESO=[N+]([O-])c1ccc(SC2CCNCC2)nc1
InChIInChI=1S/C10H13N3O2S/c14-13(15)8-1-2-10(12-7-8)16-9-3-5-11-6-4-9/h1-2,7,9,11H,3-6H2
InChIKeyQFRXZWWQHIJCSQ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.83
Rot. Bonds3

About 5-nitro-2-piperidin-4-ylsulfanylpyridine

5-nitro-2-piperidin-4-ylsulfanylpyridine (PubChem CID 71303792) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-nitro-2-piperidin-4-ylsulfanylpyridine.

Molecular Properties

Compound Name5-nitro-2-piperidin-4-ylsulfanylpyridine
PubChem CID71303792
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name5-nitro-2-piperidin-4-ylsulfanylpyridine
SMILESO=[N+]([O-])c1ccc(SC2CCNCC2)nc1
InChIInChI=1S/C10H13N3O2S/c14-13(15)8-1-2-10(12-7-8)16-9-3-5-11-6-4-9/h1-2,7,9,11H,3-6H2
InChIKeyQFRXZWWQHIJCSQ-UHFFFAOYSA-N
XLogP1.83
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
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'}

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Related Compounds

5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
CID 71635749
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71635748
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 53255914
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
CID 18142857
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
2-(ethyldisulfanyl)-5-nitropyridine
CID 58752642
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717
(5-nitro-2-pyridinyl) carbamimidothioate;hydrochloride
CID 132889594

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperidin-4-ylsulfanylpyridine?
The IUPAC name of 5-nitro-2-piperidin-4-ylsulfanylpyridine (CID 71303792) is 5-nitro-2-piperidin-4-ylsulfanylpyridine.
What is the SMILES notation for 5-nitro-2-piperidin-4-ylsulfanylpyridine?
The canonical SMILES for 5-nitro-2-piperidin-4-ylsulfanylpyridine is O=[N+]([O-])c1ccc(SC2CCNCC2)nc1.
What is the InChIKey of 5-nitro-2-piperidin-4-ylsulfanylpyridine?
The InChIKey is QFRXZWWQHIJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-13(15)8-1-2-10(12-7-8)16-9-3-5-11-6-4-9/h1-2,7,9,11H,3-6H2.
What are the key properties of 5-nitro-2-piperidin-4-ylsulfanylpyridine?
5-nitro-2-piperidin-4-ylsulfanylpyridine has a molecular weight of 239.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-piperidin-4-ylsulfanylpyridine is sourced from PubChem (CID 71303792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).