2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone

C13H8BrF2NO — CID 104798897

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF2NO/c14-8-1-3-10(17-7-8)6-13(18)11-5-9(15)2-4-12(11)16/h1-5,7H,6H2
InChIKeyITHNWINSMAHYBY-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone (PubChem CID 104798897) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
PubChem CID104798897
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF2NO/c14-8-1-3-10(17-7-8)6-13(18)11-5-9(15)2-4-12(11)16/h1-5,7H,6H2
InChIKeyITHNWINSMAHYBY-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

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Related Compounds

2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934
2-(5-bromo-2-pyridinyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115800924
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
1-(2-amino-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116602703
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone (CID 104798897) is 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone is O=C(Cc1ccc(Br)cn1)c1cc(F)ccc1F.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone?
The InChIKey is ITHNWINSMAHYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-8-1-3-10(17-7-8)6-13(18)11-5-9(15)2-4-12(11)16/h1-5,7H,6H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)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-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 104798897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).