2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C14H11BrFNO2 — CID 115800924

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)cn2)cc1F
InChIInChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-12(14)16)13(18)7-11-4-3-10(15)8-17-11/h2-6,8H,7H2,1H3
InChIKeyVCWGORLGDJHPDH-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.42
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 115800924) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID115800924
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)cn2)cc1F
InChIInChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-12(14)16)13(18)7-11-4-3-10(15)8-17-11/h2-6,8H,7H2,1H3
InChIKeyVCWGORLGDJHPDH-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823677
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 116575667
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-pyridinyl)ethanone
CID 104799261
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 115800924) is 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(Br)cn2)cc1F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is VCWGORLGDJHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-12(14)16)13(18)7-11-4-3-10(15)8-17-11/h2-6,8H,7H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 324.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 115800924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).