5-bromo-2-iodopyrimidine

C4H2BrIN2 — CID 7006651

IUPAC5-bromo-2-iodopyrimidine
SMILESBrc1cnc(I)nc1
InChIInChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyZEZKXPQIDURFKA-UHFFFAOYSA-N
MW284.88 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-2-iodopyrimidine

5-bromo-2-iodopyrimidine (PubChem CID 7006651) has the molecular formula C4H2BrIN2 and a molecular weight of 284.88 g/mol. Its IUPAC name is 5-bromo-2-iodopyrimidine.

Molecular Properties

Compound Name5-bromo-2-iodopyrimidine
PubChem CID7006651
Molecular FormulaC4H2BrIN2
Molecular Weight284.88 g/mol
Exact Mass283.84
IUPAC Name5-bromo-2-iodopyrimidine
SMILESBrc1cnc(I)nc1
InChIInChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyZEZKXPQIDURFKA-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.88
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyrimidine?
The IUPAC name of 5-bromo-2-iodopyrimidine (CID 7006651) is 5-bromo-2-iodopyrimidine.
What is the SMILES notation for 5-bromo-2-iodopyrimidine?
The canonical SMILES for 5-bromo-2-iodopyrimidine is Brc1cnc(I)nc1.
What is the InChIKey of 5-bromo-2-iodopyrimidine?
The InChIKey is ZEZKXPQIDURFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H.
What are the key properties of 5-bromo-2-iodopyrimidine?
5-bromo-2-iodopyrimidine has a molecular weight of 284.88 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyrimidine is sourced from PubChem (CID 7006651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).