2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone

C15H10BrN3O — CID 105128796

IUPAC2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cccc2nccnc12
InChIInChI=1S/C15H10BrN3O/c16-10-4-5-11(19-9-10)8-14(20)12-2-1-3-13-15(12)18-7-6-17-13/h1-7,9H,8H2
InChIKeyVIRGNPPPEKYJGJ-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.21
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone

2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone (PubChem CID 105128796) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
PubChem CID105128796
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cccc2nccnc12
InChIInChI=1S/C15H10BrN3O/c16-10-4-5-11(19-9-10)8-14(20)12-2-1-3-13-15(12)18-7-6-17-13/h1-7,9H,8H2
InChIKeyVIRGNPPPEKYJGJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromo-2-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 104798934
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-(5-bromo-2-pyridinyl)-1-quinolin-2-ylethanone
CID 104798887
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanone
CID 105110375
2-(5-bromo-2-pyridinyl)-1-(5-bromo-3-pyridinyl)ethanone
CID 104799249

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone (CID 105128796) is 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone is O=C(Cc1ccc(Br)cn1)c1cccc2nccnc12.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone?
The InChIKey is VIRGNPPPEKYJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-10-4-5-11(19-9-10)8-14(20)12-2-1-3-13-15(12)18-7-6-17-13/h1-7,9H,8H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone?
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone has a molecular weight of 328.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105128796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).