3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one

C14H8BrF2N3O — CID 22268260

IUPAC3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one
SMILESO=c1cc2ncc(Br)nc2cn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H8BrF2N3O/c15-13-5-18-11-4-14(21)20(7-12(11)19-13)6-8-1-2-9(16)10(17)3-8/h1-5,7H,6H2
InChIKeyNNEOXDHEYOWHBC-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.88
Rot. Bonds2

About 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one

3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one (PubChem CID 22268260) has the molecular formula C14H8BrF2N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one
PubChem CID22268260
Molecular FormulaC14H8BrF2N3O
Molecular Weight352.14 g/mol
Exact Mass350.98
IUPAC Name3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one
SMILESO=c1cc2ncc(Br)nc2cn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H8BrF2N3O/c15-13-5-18-11-4-14(21)20(7-12(11)19-13)6-8-1-2-9(16)10(17)3-8/h1-5,7H,6H2
InChIKeyNNEOXDHEYOWHBC-UHFFFAOYSA-N
XLogP2.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one?
The IUPAC name of 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one (CID 22268260) is 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one.
What is the SMILES notation for 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one?
The canonical SMILES for 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one is O=c1cc2ncc(Br)nc2cn1Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one?
The InChIKey is NNEOXDHEYOWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2N3O/c15-13-5-18-11-4-14(21)20(7-12(11)19-13)6-8-1-2-9(16)10(17)3-8/h1-5,7H,6H2.
What are the key properties of 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one?
3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one has a molecular weight of 352.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(3,4-difluorophenyl)methyl]pyrido[3,4-b]pyrazin-7-one is sourced from PubChem (CID 22268260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).