5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine

C10H13N3O2S — CID 97177883

IUPAC5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
SMILESO=[N+]([O-])c1ccc(SC[C@H]2CCCN2)nc1
InChIInChI=1S/C10H13N3O2S/c14-13(15)9-3-4-10(12-6-9)16-7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-/m1/s1
InChIKeyWXFXEXPCWWEURO-MRVPVSSYSA-N
MW239.30 g/mol
LogP1.83
Rot. Bonds4

About 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine

5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine (PubChem CID 97177883) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
PubChem CID97177883
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
SMILESO=[N+]([O-])c1ccc(SC[C@H]2CCCN2)nc1
InChIInChI=1S/C10H13N3O2S/c14-13(15)9-3-4-10(12-6-9)16-7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-/m1/s1
InChIKeyWXFXEXPCWWEURO-MRVPVSSYSA-N
XLogP1.83
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
CID 97177866
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
5-nitro-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
CID 71636191
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
5-nitro-2-piperidin-4-ylsulfanylpyridine
CID 71303792
5-nitro-2-(piperidin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 71636190
5-nitro-2-[[(2R)-piperidin-2-yl]methylsulfanyl]-1,3-benzothiazole
CID 97178097
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794411
5-nitro-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine
CID 71635749
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The IUPAC name of 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine (CID 97177883) is 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine.
What is the SMILES notation for 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The canonical SMILES for 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine is O=[N+]([O-])c1ccc(SC[C@H]2CCCN2)nc1.
What is the InChIKey of 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
The InChIKey is WXFXEXPCWWEURO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-13(15)9-3-4-10(12-6-9)16-7-8-2-1-5-11-8/h3-4,6,8,11H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine?
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine has a molecular weight of 239.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine is sourced from PubChem (CID 97177883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).