2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone

C15H13BrFNO — CID 82730447

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c1-2-10-4-3-7-18-15(10)14(19)9-11-8-12(17)5-6-13(11)16/h3-8H,2,9H2,1H3
InChIKeyZFQXKMOWGKBRIG-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone

2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone (PubChem CID 82730447) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
PubChem CID82730447
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H13BrFNO/c1-2-10-4-3-7-18-15(10)14(19)9-11-8-12(17)5-6-13(11)16/h3-8H,2,9H2,1H3
InChIKeyZFQXKMOWGKBRIG-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-(2-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanone
CID 105090121
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
1-[2-(aminomethyl)-4-pyridinyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116601812
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone (CID 82730447) is 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone is CCc1cccnc1C(=O)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
The InChIKey is ZFQXKMOWGKBRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-2-10-4-3-7-18-15(10)14(19)9-11-8-12(17)5-6-13(11)16/h3-8H,2,9H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone has a molecular weight of 322.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 82730447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).