3-bromo-6H-pyrido[3,4-b]pyrazin-7-one

C7H4BrN3O — CID 22268251

IUPAC3-bromo-6H-pyrido[3,4-b]pyrazin-7-one
SMILESO=c1cc2ncc(Br)nc2c[nH]1
InChIInChI=1S/C7H4BrN3O/c8-6-3-9-4-1-7(12)10-2-5(4)11-6/h1-3H,(H,10,12)
InChIKeyNQSDPOHBZKJHKF-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.08
Rot. Bonds

About 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one

3-bromo-6H-pyrido[3,4-b]pyrazin-7-one (PubChem CID 22268251) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name3-bromo-6H-pyrido[3,4-b]pyrazin-7-one
PubChem CID22268251
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name3-bromo-6H-pyrido[3,4-b]pyrazin-7-one
SMILESO=c1cc2ncc(Br)nc2c[nH]1
InChIInChI=1S/C7H4BrN3O/c8-6-3-9-4-1-7(12)10-2-5(4)11-6/h1-3H,(H,10,12)
InChIKeyNQSDPOHBZKJHKF-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H-[1,3]thiazolo[4,5-c]pyridin-6-one
CID 146566026
3,5-dihydroimidazo[4,5-c]pyridin-6-one
CID 57313405
2,7-dibromoquinoxaline
CID 827486
6H-pyrido[3,4-d]pyridazin-7-one
CID 163829766
7-chloro-2H-2,6-naphthyridin-3-one
CID 138754785
3-bromoquinoxaline-6-sulfonic acid;hydrobromide
CID 88784488
5-bromo-4-iodo-1H-pyridin-2-one
CID 155487608
5-bromo-4-fluoro-1H-pyridin-2-one
CID 118408416
6-bromo-2-methyl-3H-pteridin-4-one
CID 136981391
6-bromo-7-fluoro-2H-isoquinolin-3-one
CID 103351518
4-(5-bromo-3-pyridinyl)-1H-pyrimidin-6-one
CID 136842605
5-bromo-1,3-dihydroimidazo[4,5-b]pyrazine-2-thione
CID 155796652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one?
The IUPAC name of 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one (CID 22268251) is 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one.
What is the SMILES notation for 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one?
The canonical SMILES for 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one is O=c1cc2ncc(Br)nc2c[nH]1.
What is the InChIKey of 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one?
The InChIKey is NQSDPOHBZKJHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-6-3-9-4-1-7(12)10-2-5(4)11-6/h1-3H,(H,10,12).
What are the key properties of 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one?
3-bromo-6H-pyrido[3,4-b]pyrazin-7-one has a molecular weight of 226.03 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6H-pyrido[3,4-b]pyrazin-7-one is sourced from PubChem (CID 22268251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).