2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

C12H7BrClFN2O — CID 159127585

IUPAC2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1cnc(Br)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C12H7BrClFN2O/c13-11-6-16-7(5-17-11)4-10(18)12-8(14)2-1-3-9(12)15/h1-3,5-6H,4H2
InChIKeyBZQRQYGEMGWOSX-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone

2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (PubChem CID 159127585) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
PubChem CID159127585
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
SMILESO=C(Cc1cnc(Br)cn1)c1c(F)cccc1Cl
InChIInChI=1S/C12H7BrClFN2O/c13-11-6-16-7(5-17-11)4-10(18)12-8(14)2-1-3-9(12)15/h1-3,5-6H,4H2
InChIKeyBZQRQYGEMGWOSX-UHFFFAOYSA-N
XLogP3.46
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114975584
1-(2-chloro-6-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 115779153
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 24703509
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 82092997
1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 114560010

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone (CID 159127585) is 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone is O=C(Cc1cnc(Br)cn1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
The InChIKey is BZQRQYGEMGWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-11-6-16-7(5-17-11)4-10(18)12-8(14)2-1-3-9(12)15/h1-3,5-6H,4H2.
What are the key properties of 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone?
2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone has a molecular weight of 329.56 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrazin-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 159127585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).