2-bromo-4-iodopyrimidine

C4H2BrIN2 — CID 53416655

IUPAC2-bromo-4-iodopyrimidine
SMILESBrc1nccc(I)n1
InChIInChI=1S/C4H2BrIN2/c5-4-7-2-1-3(6)8-4/h1-2H
InChIKeyIPEJYDSOKWOWDS-UHFFFAOYSA-N
MW284.88 g/mol
LogP1.84
Rot. Bonds

About 2-bromo-4-iodopyrimidine

2-bromo-4-iodopyrimidine (PubChem CID 53416655) has the molecular formula C4H2BrIN2 and a molecular weight of 284.88 g/mol. Its IUPAC name is 2-bromo-4-iodopyrimidine.

Molecular Properties

Compound Name2-bromo-4-iodopyrimidine
PubChem CID53416655
Molecular FormulaC4H2BrIN2
Molecular Weight284.88 g/mol
Exact Mass283.84
IUPAC Name2-bromo-4-iodopyrimidine
SMILESBrc1nccc(I)n1
InChIInChI=1S/C4H2BrIN2/c5-4-7-2-1-3(6)8-4/h1-2H
InChIKeyIPEJYDSOKWOWDS-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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Related Compounds

2-Aminopyrimidine
CID 7978
Pyrimidine
CID 9260
2-Bromopyrimidine
CID 78345
2,4-Diaminopyrimidine
CID 67431
2,4-Dichloropyrimidine
CID 77531
2-Cyanopyrimidine
CID 2757979
N-methylpyrimidin-2-amine
CID 265776
2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
2-Fluoropyrimidine
CID 141643
4-Aminopyrimidine
CID 68958
2-Chloropyrimidine
CID 74404
2-Methoxypyrimidine
CID 136730

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodopyrimidine?
The IUPAC name of 2-bromo-4-iodopyrimidine (CID 53416655) is 2-bromo-4-iodopyrimidine.
What is the SMILES notation for 2-bromo-4-iodopyrimidine?
The canonical SMILES for 2-bromo-4-iodopyrimidine is Brc1nccc(I)n1.
What is the InChIKey of 2-bromo-4-iodopyrimidine?
The InChIKey is IPEJYDSOKWOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIN2/c5-4-7-2-1-3(6)8-4/h1-2H.
What are the key properties of 2-bromo-4-iodopyrimidine?
2-bromo-4-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 2-bromo-4-iodopyrimidine is sourced from PubChem (CID 53416655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).