1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone

C13H9BrFNO2 — CID 83118902

IUPAC1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C13H9BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(14)6-11(13)15/h2-7H,1H3
InChIKeyLHNUHTIGEBGQKX-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.98
Rot. Bonds3

About 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone

1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone (PubChem CID 83118902) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
PubChem CID83118902
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C13H9BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(14)6-11(13)15/h2-7H,1H3
InChIKeyLHNUHTIGEBGQKX-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
4-[4-(4-bromo-2-fluorophenoxy)phenyl]but-3-en-2-one
CID 4712647
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937813
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
2-[4-(4-bromo-2-fluorophenoxy)-2-fluorophenoxy]butanoic acid
CID 57100137
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone (CID 83118902) is 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2ccc(Br)cc2F)cn1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone?
The InChIKey is LHNUHTIGEBGQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c1-8(17)12-4-3-10(7-16-12)18-13-5-2-9(14)6-11(13)15/h2-7H,1H3.
What are the key properties of 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone?
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone has a molecular weight of 310.12 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).