2,3-dihydropyridine

C5H5N — CID 147813312

IUPAC2,3-dihydropyridine
SMILESC1=C=NCCC=1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1H,2,4H2
InChIKeyHNUOPHIVCACHSS-UHFFFAOYSA-N
MW79.10 g/mol
LogP0.77
Rot. Bonds

About 2,3-dihydropyridine

2,3-dihydropyridine (PubChem CID 147813312) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is 2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-dihydropyridine
PubChem CID147813312
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Name2,3-dihydropyridine
SMILESC1=C=NCCC=1
InChIInChI=1S/C5H5N/c1-2-4-6-5-3-1/h1H,2,4H2
InChIKeyHNUOPHIVCACHSS-UHFFFAOYSA-N
XLogP0.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine?
The IUPAC name of 2,3-dihydropyridine (CID 147813312) is 2,3-dihydropyridine.
What is the SMILES notation for 2,3-dihydropyridine?
The canonical SMILES for 2,3-dihydropyridine is C1=C=NCCC=1.
What is the InChIKey of 2,3-dihydropyridine?
The InChIKey is HNUOPHIVCACHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1H,2,4H2.
What are the key properties of 2,3-dihydropyridine?
2,3-dihydropyridine has a molecular weight of 79.10 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine is sourced from PubChem (CID 147813312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).