3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine

C10H12N2 — CID 11388

IUPAC3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
SMILESC1=CC[C@@H](c2cccnc2)NC1
InChIInChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
InChIKeySOPPBXUYQGUQHE-JTQLQIEISA-N
MW160.22 g/mol
LogP1.67
Rot. Bonds1

About 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine

3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine (PubChem CID 11388) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
PubChem CID11388
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
SMILESC1=CC[C@@H](c2cccnc2)NC1
InChIInChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
InChIKeySOPPBXUYQGUQHE-JTQLQIEISA-N
XLogP1.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine (CID 11388) is 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine is C1=CC[C@@H](c2cccnc2)NC1.
What is the InChIKey of 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine?
The InChIKey is SOPPBXUYQGUQHE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1.
What are the key properties of 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine?
3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine has a molecular weight of 160.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine is sourced from PubChem (CID 11388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).