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

C14H11BrFNO — CID 105373365

IUPAC1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1ncccc1Br
InChIInChI=1S/C14H11BrFNO/c1-9-4-5-11(16)7-10(9)8-13(18)14-12(15)3-2-6-17-14/h2-7H,8H2,1H3
InChIKeyGLOLSSQJGQXWMP-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.72
Rot. Bonds3

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

1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105373365) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105373365
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1ncccc1Br
InChIInChI=1S/C14H11BrFNO/c1-9-4-5-11(16)7-10(9)8-13(18)14-12(15)3-2-6-17-14/h2-7H,8H2,1H3
InChIKeyGLOLSSQJGQXWMP-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730447
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
CID 105373164
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840218
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone (CID 105373365) is 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is GLOLSSQJGQXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-4-5-11(16)7-10(9)8-13(18)14-12(15)3-2-6-17-14/h2-7H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone?
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 308.15 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105373365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).