Pyridoxine

C₈H₁₁NO₃CAS 65-23-6169.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁NO₃
Molar mass: 169.18 g/mol
Exact mass: 169.0739 Da
Melting point: 159–162 °C
logP: 0.08Crippen estimate
Polar surface area: 73.6 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation96.2% of notifiers
H319 Causes serious eye irritation96.2% of notifiers
H335 May cause respiratory irritation94.2% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

65-23-6

SMILES

Cc1ncc(CO)c(CO)c1O

InChIKey

LXNHXLLTXMVWPM-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3

Weigh it out

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

Names and synonyms

10 names

3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-
Pyridoxol
5-Hydroxy-6-methyl-3,4-pyridinedimethanol
2-Methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine
2-Methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine
Pyridoxin
Adermin
Bezatin
Pirivitol
3-Hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine

Work with Pyridoxine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyridoxine hydrochloride58-56-0Salt Metadoxine74536-44-0Salt

Similar compounds

Pyritinol1098-97-176 % similar Pyritinol hydrochloride10049-83-969 % similar 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride524-36-769 % similar 4-Deoxypyridoxine148-51-663 % similar Pyridoxal hydrochloride65-22-555 % similar 2,6-Bis(hydroxymethyl)-p-cresol91-04-341 % similar Vitamin B68059-24-339 % similar 5-(Hydroxymethyl)uracil4433-40-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(±)-Norepinephrine138-65-8 (βS)-β-Amino-2-furanbutanoic acid270263-05-3 Noradrenaline51-41-2 3,4-Dimethoxy-2-methylpyridine N-oxide72830-07-0 3,4-Dimethoxy-2-pyridinemethanol72830-08-1 Ethyl (ethoxymethylene)cyanoacetate94-05-3

Elsewhere

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