chempirical

2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride

C8H10ClNO3CAS 65-22-5203.62 g/mol

Open in Covalent MOL file
NOHOHOHCl
AlcoholAldehydePhenol

Properties

Molecular formula
C8H10ClNO3
Molar mass
203.62 g/mol
Exact mass
203.0349 Da
Melting point
165 °C
logP
0.82Crippen estimate
Polar surface area
70.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
65-22-5
SMILES
Cc1ncc(CO)c(C=O)c1O.Cl
InChIKey
FCHXJFJNDJXENQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,4,10,12H,3H2,1H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Pyridoxal, hydrochloride
  • 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride (1:1)
  • 4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride
  • 3-Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride
  • 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde hydrochloride
  • 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride

Work with 2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Deoxypyridoxine148-51-663 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-757 % similar Pyridoxal phosphate54-47-756 % similar Pyridoxine65-23-655 % similar Pyritinol hydrochloride10049-83-953 % similar Pyridoxal 5′-phosphate monohydrate41468-25-153 % similar Pyritinol1098-97-147 % similar Metadoxine74536-44-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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