Pyridoxal hydrochloride

C₈H₁₀ClNO₃CAS 65-22-5203.62 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Phenol

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

7 names

Pyridoxal, hydrochloride
4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride (1:1)
4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride
2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine 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 Pyridoxal 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 Pyridoxine hydrochloride58-56-063 % 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

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

Elsewhere

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