6-Hydroxy-3-succinoylpyridine
Grundinformationen
- CAS
15873-27-5- Standard-SMILES
O=C(O)CCC(=O)c1ccc(=O)[nH]c1- InChIKey
OMAJIMAYOJBLJF-UHFFFAOYSA-N- Summenformel
- C9H9NO4
- Durchschnittliche Molmasse
- 195,17 g/mol
- Monoisotopische Masse
- 195,05315777
Überblick
4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid is a 4-oxo monocarboxylic acid that is succinic acid in which one of the carboxyl hydroxy groups is substituted by a 6-hydroxypyridin-3-yl group. It is a 4-oxo monocarboxylic acid, a monohydroxypyridine and an aromatic ketone. It is functionally related to a succinic acid. It is a conjugate acid of a 4-(6-hydroxypyridin-3-yl)-4-oxobutyrate.
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxy-3-succinoylpyridine
- IUPAC
- 4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid
Namen und Synonyme
6-Hydroxy-3-succinoylpyridine6-hydroxy-3-succinoyl-pyridineRefChem:91396115873-27-54-(6-hydroxypyridin-3-yl)-4-oxobutanoic acid4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid4-oxo-4-(6-oxo-1,6-dihydropyridin-3-yl)butanoic acid4-oxo-4-(6-oxo-1H-pyridin-3-yl)butanoic acid4-Oxidanylidene-4-(6-Oxidanylidene-1~{h}-Pyridin-3-Yl)butanoic Acid4-Oxo-4-(6-oxo-1,6-dihydro-3-pyridyl)butyric acidSCHEMBL8619424SCHEMBL27658803
Weitere Namen anzeigen
CHEBI:66946OMAJIMAYOJBLJF-UHFFFAOYSA-NDTXSID101251625C19631EN300-86372611,6-Dihydro-I(3),6-dioxo-3-pyridinebutanoic acid3-Pyridinebutanoic acid, 1,6-dihydro-gamma,6-dioxo-Q27135534
Datenbank-Bezeichner
- CAS
15873-27-5- PubChem CID
- 579061
- DTXSID
DTXSID101251625- ChEBI
CHEBI:66946- Nikkaji
- J873.890D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 83,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 341
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