2-bromo-4-ethyl-3-fluoropyridine

C7H7BrFN — CID 130138685

IUPAC2-bromo-4-ethyl-3-fluoropyridine
SMILESCCc1ccnc(Br)c1F
InChIInChI=1S/C7H7BrFN/c1-2-5-3-4-10-7(8)6(5)9/h3-4H,2H2,1H3
InChIKeyDGUUYKAYGDUSTF-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.55
Rot. Bonds1

About 2-bromo-4-ethyl-3-fluoropyridine

2-bromo-4-ethyl-3-fluoropyridine (PubChem CID 130138685) has the molecular formula C7H7BrFN and a molecular weight of 204.04 g/mol. Its IUPAC name is 2-bromo-4-ethyl-3-fluoropyridine.

Molecular Properties

Compound Name2-bromo-4-ethyl-3-fluoropyridine
PubChem CID130138685
Molecular FormulaC7H7BrFN
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name2-bromo-4-ethyl-3-fluoropyridine
SMILESCCc1ccnc(Br)c1F
InChIInChI=1S/C7H7BrFN/c1-2-5-3-4-10-7(8)6(5)9/h3-4H,2H2,1H3
InChIKeyDGUUYKAYGDUSTF-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.55
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-ethyl-3-fluoropyridine?
The IUPAC name of 2-bromo-4-ethyl-3-fluoropyridine (CID 130138685) is 2-bromo-4-ethyl-3-fluoropyridine.
What is the SMILES notation for 2-bromo-4-ethyl-3-fluoropyridine?
The canonical SMILES for 2-bromo-4-ethyl-3-fluoropyridine is CCc1ccnc(Br)c1F.
What is the InChIKey of 2-bromo-4-ethyl-3-fluoropyridine?
The InChIKey is DGUUYKAYGDUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN/c1-2-5-3-4-10-7(8)6(5)9/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-3-fluoropyridine?
2-bromo-4-ethyl-3-fluoropyridine has a molecular weight of 204.04 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-3-fluoropyridine is sourced from PubChem (CID 130138685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).