2,4-dibromopyridine

C5H3Br2N — CID 817104

IUPAC2,4-dibromopyridine
SMILESBrc1ccnc(Br)c1
InChIInChI=1S/C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyPCMMSLVJMKQWMQ-UHFFFAOYSA-N
MW236.89 g/mol
LogP2.61
Rot. Bonds

About 2,4-dibromopyridine

2,4-dibromopyridine (PubChem CID 817104) has the molecular formula C5H3Br2N and a molecular weight of 236.89 g/mol. Its IUPAC name is 2,4-dibromopyridine.

Molecular Properties

Compound Name2,4-dibromopyridine
PubChem CID817104
Molecular FormulaC5H3Br2N
Molecular Weight236.89 g/mol
Exact Mass234.86
IUPAC Name2,4-dibromopyridine
SMILESBrc1ccnc(Br)c1
InChIInChI=1S/C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyPCMMSLVJMKQWMQ-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.89
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromopyridine?
The IUPAC name of 2,4-dibromopyridine (CID 817104) is 2,4-dibromopyridine.
What is the SMILES notation for 2,4-dibromopyridine?
The canonical SMILES for 2,4-dibromopyridine is Brc1ccnc(Br)c1.
What is the InChIKey of 2,4-dibromopyridine?
The InChIKey is PCMMSLVJMKQWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H.
What are the key properties of 2,4-dibromopyridine?
2,4-dibromopyridine has a molecular weight of 236.89 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromopyridine is sourced from PubChem (CID 817104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).