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

C14H11BrFNO2 — CID 79723493

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cn2)cc1Br
InChIInChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-11(14)15)7-13(18)12-4-3-10(16)8-17-12/h2-6,8H,7H2,1H3
InChIKeyPCROKWUISFPQDJ-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.42
Rot. Bonds4

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

2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone (PubChem CID 79723493) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
PubChem CID79723493
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cn2)cc1Br
InChIInChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-11(14)15)7-13(18)12-4-3-10(16)8-17-12/h2-6,8H,7H2,1H3
InChIKeyPCROKWUISFPQDJ-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-(3-bromo-4-methoxyphenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105083662
2-(3-bromo-4-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102950057
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107538191
1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 114329738
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-[(3-bromo-4-methoxyphenyl)methoxy]-5-fluorobenzoic acid
CID 115297973
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone (CID 79723493) is 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone is COc1ccc(CC(=O)c2ccc(F)cn2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
The InChIKey is PCROKWUISFPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-14-5-2-9(6-11(14)15)7-13(18)12-4-3-10(16)8-17-12/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone?
2-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)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-(3-bromo-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 79723493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).