2-bromo-4-iodo-3,4-dihydropyridine

C5H5BrIN — CID 137417527

IUPAC2-bromo-4-iodo-3,4-dihydropyridine
SMILESBrC1=NC=CC(I)C1
InChIInChI=1S/C5H5BrIN/c6-5-3-4(7)1-2-8-5/h1-2,4H,3H2
InChIKeyMOEKJKYJJBWXDK-UHFFFAOYSA-N
MW285.91 g/mol
LogP2.50
Rot. Bonds

About 2-bromo-4-iodo-3,4-dihydropyridine

2-bromo-4-iodo-3,4-dihydropyridine (PubChem CID 137417527) has the molecular formula C5H5BrIN and a molecular weight of 285.91 g/mol. Its IUPAC name is 2-bromo-4-iodo-3,4-dihydropyridine.

Molecular Properties

Compound Name2-bromo-4-iodo-3,4-dihydropyridine
PubChem CID137417527
Molecular FormulaC5H5BrIN
Molecular Weight285.91 g/mol
Exact Mass284.87
IUPAC Name2-bromo-4-iodo-3,4-dihydropyridine
SMILESBrC1=NC=CC(I)C1
InChIInChI=1S/C5H5BrIN/c6-5-3-4(7)1-2-8-5/h1-2,4H,3H2
InChIKeyMOEKJKYJJBWXDK-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.91
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-iodo-3,4-dihydropyridine?
The IUPAC name of 2-bromo-4-iodo-3,4-dihydropyridine (CID 137417527) is 2-bromo-4-iodo-3,4-dihydropyridine.
What is the SMILES notation for 2-bromo-4-iodo-3,4-dihydropyridine?
The canonical SMILES for 2-bromo-4-iodo-3,4-dihydropyridine is BrC1=NC=CC(I)C1.
What is the InChIKey of 2-bromo-4-iodo-3,4-dihydropyridine?
The InChIKey is MOEKJKYJJBWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrIN/c6-5-3-4(7)1-2-8-5/h1-2,4H,3H2.
What are the key properties of 2-bromo-4-iodo-3,4-dihydropyridine?
2-bromo-4-iodo-3,4-dihydropyridine has a molecular weight of 285.91 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-iodo-3,4-dihydropyridine is sourced from PubChem (CID 137417527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).