2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C14H8BrF4NO — CID 105121300

IUPAC2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8BrF4NO/c15-13-8(2-1-3-10(13)16)6-12(21)11-5-4-9(7-20-11)14(17,18)19/h1-5,7H,6H2
InChIKeyHRCMXPIZOJMVTP-UHFFFAOYSA-N
MW362.12 g/mol
LogP4.43
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 105121300) has the molecular formula C14H8BrF4NO and a molecular weight of 362.12 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID105121300
Molecular FormulaC14H8BrF4NO
Molecular Weight362.12 g/mol
Exact Mass360.97
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8BrF4NO/c15-13-8(2-1-3-10(13)16)6-12(21)11-5-4-9(7-20-11)14(17,18)19/h1-5,7H,6H2
InChIKeyHRCMXPIZOJMVTP-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105088699
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116585568
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081
2-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 105121300) is 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cccc(F)c1Br)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is HRCMXPIZOJMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO/c15-13-8(2-1-3-10(13)16)6-12(21)11-5-4-9(7-20-11)14(17,18)19/h1-5,7H,6H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 362.12 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 105121300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).