2-bromo-1-(4-fluoro-2-pyridinyl)ethanone

C7H5BrFNO — CID 59282949

IUPAC2-bromo-1-(4-fluoro-2-pyridinyl)ethanone
SMILESO=C(CBr)c1cc(F)ccn1
InChIInChI=1S/C7H5BrFNO/c8-4-7(11)6-3-5(9)1-2-10-6/h1-3H,4H2
InChIKeyHCMWENGJFAOKBV-UHFFFAOYSA-N
MW218.02 g/mol
LogP1.80
Rot. Bonds2

About 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone

2-bromo-1-(4-fluoro-2-pyridinyl)ethanone (PubChem CID 59282949) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-fluoro-2-pyridinyl)ethanone
PubChem CID59282949
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name2-bromo-1-(4-fluoro-2-pyridinyl)ethanone
SMILESO=C(CBr)c1cc(F)ccn1
InChIInChI=1S/C7H5BrFNO/c8-4-7(11)6-3-5(9)1-2-10-6/h1-3H,4H2
InChIKeyHCMWENGJFAOKBV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone (CID 59282949) is 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone is O=C(CBr)c1cc(F)ccn1.
What is the InChIKey of 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone?
The InChIKey is HCMWENGJFAOKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c8-4-7(11)6-3-5(9)1-2-10-6/h1-3H,4H2.
What are the key properties of 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone?
2-bromo-1-(4-fluoro-2-pyridinyl)ethanone has a molecular weight of 218.02 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 59282949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).