5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine

C9H11N3O2 — CID 55274091

IUPAC5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCCN2)nc1
InChIInChI=1S/C9H11N3O2/c13-12(14)7-3-4-9(11-6-7)8-2-1-5-10-8/h3-4,6,8,10H,1-2,5H2/t8-/m0/s1
InChIKeyZJQSIFRBQXPXJX-QMMMGPOBSA-N
MW193.21 g/mol
LogP1.41
Rot. Bonds2

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

5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine (PubChem CID 55274091) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
PubChem CID55274091
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
SMILESO=[N+]([O-])c1ccc([C@@H]2CCCN2)nc1
InChIInChI=1S/C9H11N3O2/c13-12(14)7-3-4-9(11-6-7)8-2-1-5-10-8/h3-4,6,8,10H,1-2,5H2/t8-/m0/s1
InChIKeyZJQSIFRBQXPXJX-QMMMGPOBSA-N
XLogP1.41
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-cyclopentyl-5-nitropyridine
CID 58049556
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
CID 97177866
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 124993884
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
5-nitro-2-(piperidin-2-ylmethylsulfanyl)pyridine;hydrochloride
CID 71635756

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine (CID 55274091) is 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine is O=[N+]([O-])c1ccc([C@@H]2CCCN2)nc1.
What is the InChIKey of 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine?
The InChIKey is ZJQSIFRBQXPXJX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-12(14)7-3-4-9(11-6-7)8-2-1-5-10-8/h3-4,6,8,10H,1-2,5H2/t8-/m0/s1.
What are the key properties of 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine?
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine has a molecular weight of 193.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 55274091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).