2,6-dibromo-1,2,3,4-tetrahydropyridine

C5H7Br2N — CID 118016425

IUPAC2,6-dibromo-1,2,3,4-tetrahydropyridine
SMILESBrC1=CCCC(Br)N1
InChIInChI=1S/C5H7Br2N/c6-4-2-1-3-5(7)8-4/h2,5,8H,1,3H2
InChIKeyBIJVIFVGFRZIHP-UHFFFAOYSA-N
MW240.93 g/mol
LogP2.33
Rot. Bonds

About 2,6-dibromo-1,2,3,4-tetrahydropyridine

2,6-dibromo-1,2,3,4-tetrahydropyridine (PubChem CID 118016425) has the molecular formula C5H7Br2N and a molecular weight of 240.93 g/mol. Its IUPAC name is 2,6-dibromo-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2,6-dibromo-1,2,3,4-tetrahydropyridine
PubChem CID118016425
Molecular FormulaC5H7Br2N
Molecular Weight240.93 g/mol
Exact Mass238.89
IUPAC Name2,6-dibromo-1,2,3,4-tetrahydropyridine
SMILESBrC1=CCCC(Br)N1
InChIInChI=1S/C5H7Br2N/c6-4-2-1-3-5(7)8-4/h2,5,8H,1,3H2
InChIKeyBIJVIFVGFRZIHP-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.93
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2,6-dibromo-1,2,3,4-tetrahydropyridine (CID 118016425) is 2,6-dibromo-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2,6-dibromo-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2,6-dibromo-1,2,3,4-tetrahydropyridine is BrC1=CCCC(Br)N1.
What is the InChIKey of 2,6-dibromo-1,2,3,4-tetrahydropyridine?
The InChIKey is BIJVIFVGFRZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N/c6-4-2-1-3-5(7)8-4/h2,5,8H,1,3H2.
What are the key properties of 2,6-dibromo-1,2,3,4-tetrahydropyridine?
2,6-dibromo-1,2,3,4-tetrahydropyridine has a molecular weight of 240.93 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 118016425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).