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Basic information
- CAS
6560-46-9- Standard SMILES
Cc1ncc(C=O)c(CO)c1O- InChIKey
GNKXHPULSPWUAK-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- Isopyridoxal
- IUPAC
- 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde
- English name
- 5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carbaldehyde
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
Isopyridoxal5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde6560-46-9CHEBI:178893-Pyridinecarboxaldehyde, 5-hydroxy-4-(hydroxymethyl)-6-methyl-Nicotinaldehyde, 5-hydroxy-4-(hydroxymethyl)-6-methyl-DTXSID903315375-hydroxy-4-(hydroxymethyl)-6-methyl-3-Pyridinecarboxaldehyde5-hydroxy-4-(hydroxymethyl)-6-methyl-NicotinaldehydeRefChem:149884DTXCID90282631GNKXHPULSPWUAK-UHFFFAOYSA-N
Show more names
Pyridoxine Impurity 1255-Hydroxy-4-(hydroxymethyl)-6-methylnicotinaldehyde5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarbaldehyde5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carbaldehyde
C06051Vitamin B6 Impurity 85W8LVE6DT9JSCHEMBL10803937AKOS006310842DA-373092-methyl-3-hydroxy-4-hydroxymethyl-5-formylpyridine5-formyl-3-hydroxy-4-hydroxymethyl-2-methylpyridine
Database identifiers
- CAS
6560-46-9- PubChem CID
- 440899
- DTXSID
DTXSID90331537- ChEBI
CHEBI:17889- UNII
- W8LVE6DT9J
- Nikkaji
- J100.295C
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- pka
- 4 · pKa 4.00(H2O,t =25,I>0.1) (Uncertain)
Chemistry & industry
Suppliers5 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Additional notes
DefinitionChEBI: Isopyridoxal is a pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively. It has a role as a metabolite. It is a hydroxymethylpyridine, a monohydroxypyridine, a member of methylpyridines and a pyridinecarbaldehyde.
Related reactions
1 records
Compound notes
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