2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine

C10H12N2 — CID 68653775

IUPAC2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine
SMILESC1=CNC(C2=CCN=CC2)C=C1
InChIInChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,8,10,12H,5,7H2
InChIKeyIBCHNUNKKJXHQN-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.43
Rot. Bonds1

About 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine

2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine (PubChem CID 68653775) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine
PubChem CID68653775
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine
SMILESC1=CNC(C2=CCN=CC2)C=C1
InChIInChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,8,10,12H,5,7H2
InChIKeyIBCHNUNKKJXHQN-UHFFFAOYSA-N
XLogP1.43
TPSA24.39 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 ≤ 51.43
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 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine (CID 68653775) is 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine is C1=CNC(C2=CCN=CC2)C=C1.
What is the InChIKey of 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine?
The InChIKey is IBCHNUNKKJXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,8,10,12H,5,7H2.
What are the key properties of 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine?
2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine has a molecular weight of 160.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyridin-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 68653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).