5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol

C8H11NO3 — CID 15556371

IUPAC5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol
SMILES[2H]C([2H])([2H])c1ncc(C([2H])([2H])O)c(CO)c1O
InChIInChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3/i1D3,3D2
InChIKeyLXNHXLLTXMVWPM-WNWXXORZSA-N
MW174.21 g/mol
LogP0.08
Rot. Bonds3

About 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol

5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol (PubChem CID 15556371) has the molecular formula C8H11NO3 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol
PubChem CID15556371
Molecular FormulaC8H11NO3
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol
SMILES[2H]C([2H])([2H])c1ncc(C([2H])([2H])O)c(CO)c1O
InChIInChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3/i1D3,3D2
InChIKeyLXNHXLLTXMVWPM-WNWXXORZSA-N
XLogP0.08
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 174533027
4-(hydroxymethyl)-5-(isothiocyanatomethyl)-2-methylpyridin-3-ol
CID 165352065
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
4-(hydroxymethyl)-2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyridin-3-ol
CID 2776820
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl 2,2,2-trifluoroacetate
CID 162159235
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthiourea
CID 3034970
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;1H-imidazole
CID 158995551
5-[(4-ethylpiperazin-1-yl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 139402352
[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl phosphate
CID 24794348

Frequently Asked Questions

What is the IUPAC name of 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol?
The IUPAC name of 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol (CID 15556371) is 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol.
What is the SMILES notation for 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol?
The canonical SMILES for 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol is [2H]C([2H])([2H])c1ncc(C([2H])([2H])O)c(CO)c1O.
What is the InChIKey of 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol?
The InChIKey is LXNHXLLTXMVWPM-WNWXXORZSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3/i1D3,3D2.
What are the key properties of 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol?
5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol has a molecular weight of 174.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol is sourced from PubChem (CID 15556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).