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

C13H9BrFNO — CID 115799223

IUPAC1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrFNO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2
InChIKeyLPWDCTPEMMMJRY-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.41
Rot. Bonds3

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

1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone (PubChem CID 115799223) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
PubChem CID115799223
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H9BrFNO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2
InChIKeyLPWDCTPEMMMJRY-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

1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(4-bromo-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796156
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone (CID 115799223) is 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone?
The InChIKey is LPWDCTPEMMMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone?
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-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 1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).