3,5-dibromo-1,2-dihydropyridine

C5H5Br2N — CID 23221429

IUPAC3,5-dibromo-1,2-dihydropyridine
SMILESBrC1=CNCC(Br)=C1
InChIInChI=1S/C5H5Br2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2
InChIKeyFJRJMBAUAHBTOS-UHFFFAOYSA-N
MW238.91 g/mol
LogP2.10
Rot. Bonds

About 3,5-dibromo-1,2-dihydropyridine

3,5-dibromo-1,2-dihydropyridine (PubChem CID 23221429) has the molecular formula C5H5Br2N and a molecular weight of 238.91 g/mol. Its IUPAC name is 3,5-dibromo-1,2-dihydropyridine.

Molecular Properties

Compound Name3,5-dibromo-1,2-dihydropyridine
PubChem CID23221429
Molecular FormulaC5H5Br2N
Molecular Weight238.91 g/mol
Exact Mass236.88
IUPAC Name3,5-dibromo-1,2-dihydropyridine
SMILESBrC1=CNCC(Br)=C1
InChIInChI=1S/C5H5Br2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2
InChIKeyFJRJMBAUAHBTOS-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.91
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1,2-dihydropyridine?
The IUPAC name of 3,5-dibromo-1,2-dihydropyridine (CID 23221429) is 3,5-dibromo-1,2-dihydropyridine.
What is the SMILES notation for 3,5-dibromo-1,2-dihydropyridine?
The canonical SMILES for 3,5-dibromo-1,2-dihydropyridine is BrC1=CNCC(Br)=C1.
What is the InChIKey of 3,5-dibromo-1,2-dihydropyridine?
The InChIKey is FJRJMBAUAHBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N/c6-4-1-5(7)3-8-2-4/h1-2,8H,3H2.
What are the key properties of 3,5-dibromo-1,2-dihydropyridine?
3,5-dibromo-1,2-dihydropyridine has a molecular weight of 238.91 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1,2-dihydropyridine is sourced from PubChem (CID 23221429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).