2,5-dihydropyridine

C5H7N — CID 15738596

IUPAC2,5-dihydropyridine
SMILESC1=CCN=CC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2
InChIKeyLPHWCAUEPAUFHZ-UHFFFAOYSA-N
MW81.12 g/mol
LogP1.02
Rot. Bonds

About 2,5-dihydropyridine

2,5-dihydropyridine (PubChem CID 15738596) has the molecular formula C5H7N and a molecular weight of 81.12 g/mol. Its IUPAC name is 2,5-dihydropyridine.

Molecular Properties

Compound Name2,5-dihydropyridine
PubChem CID15738596
Molecular FormulaC5H7N
Molecular Weight81.12 g/mol
Exact Mass81.06
IUPAC Name2,5-dihydropyridine
SMILESC1=CCN=CC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2
InChIKeyLPHWCAUEPAUFHZ-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.12
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,5-dihydropyridine?
The IUPAC name of 2,5-dihydropyridine (CID 15738596) is 2,5-dihydropyridine.
What is the SMILES notation for 2,5-dihydropyridine?
The canonical SMILES for 2,5-dihydropyridine is C1=CCN=CC1.
What is the InChIKey of 2,5-dihydropyridine?
The InChIKey is LPHWCAUEPAUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2.
What are the key properties of 2,5-dihydropyridine?
2,5-dihydropyridine has a molecular weight of 81.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridine is sourced from PubChem (CID 15738596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).