1-(6-bromo-2-pyridinyl)-2-fluoroethanone

C7H5BrFNO — CID 59526299

IUPAC1-(6-bromo-2-pyridinyl)-2-fluoroethanone
SMILESO=C(CF)c1cccc(Br)n1
InChIInChI=1S/C7H5BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3H,4H2
InChIKeyOQJONGCUDXVYOO-UHFFFAOYSA-N
MW218.02 g/mol
LogP2.00
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-2-fluoroethanone

1-(6-bromo-2-pyridinyl)-2-fluoroethanone (PubChem CID 59526299) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-2-fluoroethanone
PubChem CID59526299
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name1-(6-bromo-2-pyridinyl)-2-fluoroethanone
SMILESO=C(CF)c1cccc(Br)n1
InChIInChI=1S/C7H5BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3H,4H2
InChIKeyOQJONGCUDXVYOO-UHFFFAOYSA-N
XLogP2.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(6-bromo-2-pyridinyl)-2-fluoroethanone?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-2-fluoroethanone (CID 59526299) is 1-(6-bromo-2-pyridinyl)-2-fluoroethanone.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-2-fluoroethanone?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-2-fluoroethanone is O=C(CF)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-2-fluoroethanone?
The InChIKey is OQJONGCUDXVYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3H,4H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-2-fluoroethanone?
1-(6-bromo-2-pyridinyl)-2-fluoroethanone has a molecular weight of 218.02 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-2-fluoroethanone is sourced from PubChem (CID 59526299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).