3,4-dibromo-5-iodopyridine

C5H2Br2IN — CID 53420269

IUPAC3,4-dibromo-5-iodopyridine
SMILESBrc1cncc(I)c1Br
InChIInChI=1S/C5H2Br2IN/c6-3-1-9-2-4(8)5(3)7/h1-2H
InChIKeyRCCZPOZNHAIHJI-UHFFFAOYSA-N
MW362.79 g/mol
LogP3.21
Rot. Bonds

About 3,4-dibromo-5-iodopyridine

3,4-dibromo-5-iodopyridine (PubChem CID 53420269) has the molecular formula C5H2Br2IN and a molecular weight of 362.79 g/mol. Its IUPAC name is 3,4-dibromo-5-iodopyridine.

Molecular Properties

Compound Name3,4-dibromo-5-iodopyridine
PubChem CID53420269
Molecular FormulaC5H2Br2IN
Molecular Weight362.79 g/mol
Exact Mass360.76
IUPAC Name3,4-dibromo-5-iodopyridine
SMILESBrc1cncc(I)c1Br
InChIInChI=1S/C5H2Br2IN/c6-3-1-9-2-4(8)5(3)7/h1-2H
InChIKeyRCCZPOZNHAIHJI-UHFFFAOYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-5-iodopyridine?
The IUPAC name of 3,4-dibromo-5-iodopyridine (CID 53420269) is 3,4-dibromo-5-iodopyridine.
What is the SMILES notation for 3,4-dibromo-5-iodopyridine?
The canonical SMILES for 3,4-dibromo-5-iodopyridine is Brc1cncc(I)c1Br.
What is the InChIKey of 3,4-dibromo-5-iodopyridine?
The InChIKey is RCCZPOZNHAIHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2IN/c6-3-1-9-2-4(8)5(3)7/h1-2H.
What are the key properties of 3,4-dibromo-5-iodopyridine?
3,4-dibromo-5-iodopyridine has a molecular weight of 362.79 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-5-iodopyridine is sourced from PubChem (CID 53420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).