3-[(2S)-1-nitrosopiperidin-2-yl]pyridine

C10H13N3O — CID 7069270

IUPAC3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
SMILESO=NN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
InChIKeyBXYPVKMROLGXJI-JTQLQIEISA-N
MW191.23 g/mol
LogP2.29
Rot. Bonds2

About 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine

3-[(2S)-1-nitrosopiperidin-2-yl]pyridine (PubChem CID 7069270) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
PubChem CID7069270
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
SMILESO=NN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
InChIKeyBXYPVKMROLGXJI-JTQLQIEISA-N
XLogP2.29
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

Analyze 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine (CID 7069270) is 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine is O=NN1CCCC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine?
The InChIKey is BXYPVKMROLGXJI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1.
What are the key properties of 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine?
3-[(2S)-1-nitrosopiperidin-2-yl]pyridine has a molecular weight of 191.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-nitrosopiperidin-2-yl]pyridine is sourced from PubChem (CID 7069270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).