2-bromo-4-ethylpyridine

C7H8BrN — CID 4114248

IUPAC2-bromo-4-ethylpyridine
SMILESCCc1ccnc(Br)c1
InChIInChI=1S/C7H8BrN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKeyJMDIWBIWPAAWHP-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.41
Rot. Bonds1

About 2-bromo-4-ethylpyridine

2-bromo-4-ethylpyridine (PubChem CID 4114248) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 2-bromo-4-ethylpyridine.

Molecular Properties

Compound Name2-bromo-4-ethylpyridine
PubChem CID4114248
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name2-bromo-4-ethylpyridine
SMILESCCc1ccnc(Br)c1
InChIInChI=1S/C7H8BrN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKeyJMDIWBIWPAAWHP-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.41
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-bromo-4-ethylpyridine?
The IUPAC name of 2-bromo-4-ethylpyridine (CID 4114248) is 2-bromo-4-ethylpyridine.
What is the SMILES notation for 2-bromo-4-ethylpyridine?
The canonical SMILES for 2-bromo-4-ethylpyridine is CCc1ccnc(Br)c1.
What is the InChIKey of 2-bromo-4-ethylpyridine?
The InChIKey is JMDIWBIWPAAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-2-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-4-ethylpyridine?
2-bromo-4-ethylpyridine has a molecular weight of 186.05 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethylpyridine is sourced from PubChem (CID 4114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).