2-bromo-4-iodopyridine

C5H3BrIN — CID 1051520

IUPAC2-bromo-4-iodopyridine
SMILESBrc1cc(I)ccn1
InChIInChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKeyHPKRNLGLZYOVJS-UHFFFAOYSA-N
MW283.89 g/mol
LogP2.45
Rot. Bonds

About 2-bromo-4-iodopyridine

2-bromo-4-iodopyridine (PubChem CID 1051520) has the molecular formula C5H3BrIN and a molecular weight of 283.89 g/mol. Its IUPAC name is 2-bromo-4-iodopyridine.

Molecular Properties

Compound Name2-bromo-4-iodopyridine
PubChem CID1051520
Molecular FormulaC5H3BrIN
Molecular Weight283.89 g/mol
Exact Mass282.85
IUPAC Name2-bromo-4-iodopyridine
SMILESBrc1cc(I)ccn1
InChIInChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKeyHPKRNLGLZYOVJS-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.89
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodopyridine?
The IUPAC name of 2-bromo-4-iodopyridine (CID 1051520) is 2-bromo-4-iodopyridine.
What is the SMILES notation for 2-bromo-4-iodopyridine?
The canonical SMILES for 2-bromo-4-iodopyridine is Brc1cc(I)ccn1.
What is the InChIKey of 2-bromo-4-iodopyridine?
The InChIKey is HPKRNLGLZYOVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H.
What are the key properties of 2-bromo-4-iodopyridine?
2-bromo-4-iodopyridine has a molecular weight of 283.89 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodopyridine is sourced from PubChem (CID 1051520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).