4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol

C10H17NO4 — CID 68776255

IUPAC4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
SMILESCCO.Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C8H11NO3.C2H6O/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-3/h2,10-12H,3-4H2,1H3;3H,2H2,1H3
InChIKeyRPYNNTYVYUFEEN-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds2

About 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol (PubChem CID 68776255) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
PubChem CID68776255
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
SMILESCCO.Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C8H11NO3.C2H6O/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-3/h2,10-12H,3-4H2,1H3;3H,2H2,1H3
InChIKeyRPYNNTYVYUFEEN-UHFFFAOYSA-N
XLogP0.08
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 174533027
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
CID 158995551
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
4-(hydroxymethyl)-5-(isothiocyanatomethyl)-2-methylpyridin-3-ol
CID 165352065
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 139402352
ethyl 3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propanoate
CID 71252994
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylimino-iminoazanium
CID 6334276

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol?
The IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol (CID 68776255) is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol is CCO.Cc1ncc(CO)c(CO)c1O.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol?
The InChIKey is RPYNNTYVYUFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.C2H6O/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-2-3/h2,10-12H,3-4H2,1H3;3H,2H2,1H3.
What are the key properties of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol?
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol has a molecular weight of 215.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol is sourced from PubChem (CID 68776255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).