7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one

C11H12BrN3O2 — CID 115293397

IUPAC7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(Br)cnc2NC12CCOCC2
InChIInChI=1S/C11H12BrN3O2/c12-7-5-8-9(13-6-7)15-11(10(16)14-8)1-3-17-4-2-11/h5-6H,1-4H2,(H,13,15)(H,14,16)
InChIKeyQHUIYDQMTZJNHQ-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.76
Rot. Bonds

About 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one

7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one (PubChem CID 115293397) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one.

Molecular Properties

Compound Name7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
PubChem CID115293397
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
SMILESO=C1Nc2cc(Br)cnc2NC12CCOCC2
InChIInChI=1S/C11H12BrN3O2/c12-7-5-8-9(13-6-7)15-11(10(16)14-8)1-3-17-4-2-11/h5-6H,1-4H2,(H,13,15)(H,14,16)
InChIKeyQHUIYDQMTZJNHQ-UHFFFAOYSA-N
XLogP1.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,4'-oxane]-2-one
CID 113310330
8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclobutane]-2-one
CID 115447279
12-bromo-7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 79302273
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
4-(5-bromopyrimidin-2-yl)oxan-4-ol;oxan-4-one
CID 159685962
(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 98041414
7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296030
7-fluorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 79295412
CID 140659181
CID 140659181
2-oxospiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-oxane]-7-carbaldehyde
CID 82375658
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one?
The IUPAC name of 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one (CID 115293397) is 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one.
What is the SMILES notation for 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one?
The canonical SMILES for 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one is O=C1Nc2cc(Br)cnc2NC12CCOCC2.
What is the InChIKey of 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one?
The InChIKey is QHUIYDQMTZJNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-7-5-8-9(13-6-7)15-11(10(16)14-8)1-3-17-4-2-11/h5-6H,1-4H2,(H,13,15)(H,14,16).
What are the key properties of 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one?
7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one has a molecular weight of 298.14 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one is sourced from PubChem (CID 115293397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).