2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone

C13H9BrFNO — CID 54971269

IUPAC2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1ccccn1
InChIInChI=1S/C13H9BrFNO/c14-10-7-9(4-5-11(10)15)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyZNGYFGZEVFEYPN-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.41
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone

2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone (PubChem CID 54971269) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone
PubChem CID54971269
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone
SMILESO=C(Cc1ccc(F)c(Br)c1)c1ccccn1
InChIInChI=1S/C13H9BrFNO/c14-10-7-9(4-5-11(10)15)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2
InChIKeyZNGYFGZEVFEYPN-UHFFFAOYSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
1-(1-benzothiophen-3-yl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 114964824
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
1-[1-(2-aminoethyl)triazol-4-yl]-2-(3-bromo-4-fluorophenyl)ethanone
CID 116583137
2-(3,4-difluorophenyl)-1-pyrimidin-4-ylethanone
CID 82920396
2-(4-methylsulfonylphenyl)-1-pyridin-2-ylethanone
CID 22350079
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 105083852
2-(3-bromo-4-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105083876
2-(2-methylindazol-6-yl)-1-pyridin-2-ylethanone
CID 159057386
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
CID 11659269
1-(3-bromo-4-fluorophenyl)but-3-en-2-one
CID 103453521

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone (CID 54971269) is 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone is O=C(Cc1ccc(F)c(Br)c1)c1ccccn1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone?
The InChIKey is ZNGYFGZEVFEYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-10-7-9(4-5-11(10)15)8-13(17)12-3-1-2-6-16-12/h1-7H,8H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone?
2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone has a molecular weight of 294.12 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 54971269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).