2,4-dibromo-2,3-dihydropyridine

C5H5Br2N — CID 59825077

IUPAC2,4-dibromo-2,3-dihydropyridine
SMILESBrC1=CC=NC(Br)C1
InChIInChI=1S/C5H5Br2N/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2
InChIKeyHIPGCWFRWGMMTB-UHFFFAOYSA-N
MW238.91 g/mol
LogP2.46
Rot. Bonds

About 2,4-dibromo-2,3-dihydropyridine

2,4-dibromo-2,3-dihydropyridine (PubChem CID 59825077) has the molecular formula C5H5Br2N and a molecular weight of 238.91 g/mol. Its IUPAC name is 2,4-dibromo-2,3-dihydropyridine.

Molecular Properties

Compound Name2,4-dibromo-2,3-dihydropyridine
PubChem CID59825077
Molecular FormulaC5H5Br2N
Molecular Weight238.91 g/mol
Exact Mass236.88
IUPAC Name2,4-dibromo-2,3-dihydropyridine
SMILESBrC1=CC=NC(Br)C1
InChIInChI=1S/C5H5Br2N/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2
InChIKeyHIPGCWFRWGMMTB-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.91
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 2,4-dibromo-2,3-dihydropyridine?
The IUPAC name of 2,4-dibromo-2,3-dihydropyridine (CID 59825077) is 2,4-dibromo-2,3-dihydropyridine.
What is the SMILES notation for 2,4-dibromo-2,3-dihydropyridine?
The canonical SMILES for 2,4-dibromo-2,3-dihydropyridine is BrC1=CC=NC(Br)C1.
What is the InChIKey of 2,4-dibromo-2,3-dihydropyridine?
The InChIKey is HIPGCWFRWGMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2.
What are the key properties of 2,4-dibromo-2,3-dihydropyridine?
2,4-dibromo-2,3-dihydropyridine has a molecular weight of 238.91 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-2,3-dihydropyridine is sourced from PubChem (CID 59825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).