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

C13H8BrF2NO — CID 105090104

IUPAC2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1cncc(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-12-2-1-10(15)3-8(12)5-13(18)9-4-11(16)7-17-6-9/h1-4,6-7H,5H2
InChIKeyIUXXPPOAWVAMFU-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

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

2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 105090104) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID105090104
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1cncc(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-12-2-1-10(15)3-8(12)5-13(18)9-4-11(16)7-17-6-9/h1-4,6-7H,5H2
InChIKeyIUXXPPOAWVAMFU-UHFFFAOYSA-N
XLogP3.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-[2-(aminomethyl)-4-pyridinyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116601812
1-(5-fluoro-3-pyridinyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 105085227
2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 114968196
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114968117
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone (CID 105090104) is 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone is O=C(Cc1cc(F)ccc1Br)c1cncc(F)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is IUXXPPOAWVAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-12-2-1-10(15)3-8(12)5-13(18)9-4-11(16)7-17-6-9/h1-4,6-7H,5H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone?
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 312.11 g/mol, XLogP of 3.55, 3 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-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 105090104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).