2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde

C9H7N3O3 — CID 87576364

IUPAC2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde
SMILESO=CCc1c(O)c2nccnc2[nH]c1=O
InChIInChI=1S/C9H7N3O3/c13-4-1-5-7(14)6-8(12-9(5)15)11-3-2-10-6/h2-4H,1H2,(H2,11,12,14,15)
InChIKeyVSNXZCYPJMTZCX-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.23
Rot. Bonds2

About 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde

2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde (PubChem CID 87576364) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde
PubChem CID87576364
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde
SMILESO=CCc1c(O)c2nccnc2[nH]c1=O
InChIInChI=1S/C9H7N3O3/c13-4-1-5-7(14)6-8(12-9(5)15)11-3-2-10-6/h2-4H,1H2,(H2,11,12,14,15)
InChIKeyVSNXZCYPJMTZCX-UHFFFAOYSA-N
XLogP-0.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-(2-fluorophenyl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
CID 59769210
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-1,5-naphthyridin-3-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171984438
4-oxa-3,5,8,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,5,9,11-pentaen-7-one
CID 155206933
7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
CID 58114934
hydroxylamine;8-hydroxy-7-[(3Z)-4,4,4-trifluoro-3-hydroxyiminobutanoyl]-5H-pyrido[2,3-b]pyrazin-6-one;8-hydroxy-7-[(Z)-4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl]-5H-pyrido[2,3-b]pyrazin-6-one;hydrochloride
CID 172958278
6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 83680885
sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
CID 54610770
(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate
CID 143691584
1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 68856140
4,5-difluoro-3-hydroxy-1H-1,8-naphthyridin-2-one
CID 46211865
8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 122509831
7-ethyl-6-phenyl-5H-pyrrolo[2,3-b]pyrazine
CID 101409745

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde?
The IUPAC name of 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde (CID 87576364) is 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde.
What is the SMILES notation for 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde?
The canonical SMILES for 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde is O=CCc1c(O)c2nccnc2[nH]c1=O.
What is the InChIKey of 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde?
The InChIKey is VSNXZCYPJMTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-4-1-5-7(14)6-8(12-9(5)15)11-3-2-10-6/h2-4H,1H2,(H2,11,12,14,15).
What are the key properties of 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde?
2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde has a molecular weight of 205.17 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxy-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)acetaldehyde is sourced from PubChem (CID 87576364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).