2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone

C13H9BrFNO2 — CID 118184381

IUPAC2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone
SMILESO=C(COc1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO2/c14-13-7-11(5-6-16-13)18-8-12(17)9-1-3-10(15)4-2-9/h1-7H,8H2
InChIKeyPUXWOQNMQDJVQP-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone

2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone (PubChem CID 118184381) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone
PubChem CID118184381
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone
SMILESO=C(COc1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO2/c14-13-7-11(5-6-16-13)18-8-12(17)9-1-3-10(15)4-2-9/h1-7H,8H2
InChIKeyPUXWOQNMQDJVQP-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-2-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone
CID 118184547
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163
[1-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-oxoethyl]azanium chloride
CID 11131760
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone (CID 118184381) is 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone is O=C(COc1ccnc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone?
The InChIKey is PUXWOQNMQDJVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-13-7-11(5-6-16-13)18-8-12(17)9-1-3-10(15)4-2-9/h1-7H,8H2.
What are the key properties of 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone?
2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone has a molecular weight of 310.12 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 118184381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).