5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine

C9H11N3O2S — CID 71635749

IUPAC5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(S[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11N3O2S/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1
InChIKeyIFBCFBCFOGKULC-MRVPVSSYSA-N
MW225.27 g/mol
LogP1.44
Rot. Bonds3

About 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine

5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine (PubChem CID 71635749) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine.

Molecular Properties

Compound Name5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
PubChem CID71635749
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(S[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11N3O2S/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1
InChIKeyIFBCFBCFOGKULC-MRVPVSSYSA-N
XLogP1.44
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.44
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;hydrochloride
CID 71635748
5-nitro-2-piperidin-4-ylsulfanylpyridine
CID 71303792
5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 53255914
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
CID 71637184
2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitropyridine
CID 18142857

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine?
The IUPAC name of 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine (CID 71635749) is 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine.
What is the SMILES notation for 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine?
The canonical SMILES for 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine is O=[N+]([O-])c1ccc(S[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine?
The InChIKey is IFBCFBCFOGKULC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1.
What are the key properties of 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine?
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine has a molecular weight of 225.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine is sourced from PubChem (CID 71635749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).