2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

C13H8BrN3O — CID 137423280

IUPAC2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(Br)nc12
InChIInChI=1S/C13H8BrN3O/c14-12-10(8-4-2-1-3-5-8)17-13-11(16-12)9(18)6-7-15-13/h1-7H,(H,15,17,18)
InChIKeyTVWJAVDSILARKN-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.75
Rot. Bonds1

About 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one

2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 137423280) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID137423280
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(Br)nc12
InChIInChI=1S/C13H8BrN3O/c14-12-10(8-4-2-1-3-5-8)17-13-11(16-12)9(18)6-7-15-13/h1-7H,(H,15,17,18)
InChIKeyTVWJAVDSILARKN-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657088
2-(5-chloro-1-cyclopropyl-6-oxo-3-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656659
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657239
2-(2-hydroxy-3-methoxy-1-propan-2-yl-2H-pyridin-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one
CID 155006947
4-phenyl-2-(trichloromethyl)-8H-pyrido[2,3-d]pyrimidin-5-one
CID 6294381
3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657211
3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656998
3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
CID 154657223
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
5-bromo-3-phenyl-1H-pyrazin-2-one
CID 20528924
6-(5-chloro-4-oxocyclohexa-1,5-dien-1-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 160918022
6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137423219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one (CID 137423280) is 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is O=c1cc[nH]c2nc(-c3ccccc3)c(Br)nc12.
What is the InChIKey of 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is TVWJAVDSILARKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-12-10(8-4-2-1-3-5-8)17-13-11(16-12)9(18)6-7-15-13/h1-7H,(H,15,17,18).
What are the key properties of 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one?
2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 302.13 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-phenyl-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 137423280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).