3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine

C11H14N2 — CID 15521626

IUPAC3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine
SMILESCN1CC=CC[C@H]1c1cccnc1
InChIInChI=1S/C11H14N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h2-5,7,9,11H,6,8H2,1H3/t11-/m0/s1
InChIKeyATWWUVUOWMJMTM-NSHDSACASA-N
MW174.25 g/mol
LogP2.01
Rot. Bonds1

About 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine

3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine (PubChem CID 15521626) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine
PubChem CID15521626
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine
SMILESCN1CC=CC[C@H]1c1cccnc1
InChIInChI=1S/C11H14N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h2-5,7,9,11H,6,8H2,1H3/t11-/m0/s1
InChIKeyATWWUVUOWMJMTM-NSHDSACASA-N
XLogP2.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine (CID 15521626) is 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine is CN1CC=CC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine?
The InChIKey is ATWWUVUOWMJMTM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h2-5,7,9,11H,6,8H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine?
3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methyl-3,6-dihydro-2H-pyridin-2-yl]pyridine is sourced from PubChem (CID 15521626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).