5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol

C10H13NO3 — CID 169454499

IUPAC5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(C=CCO)c1O
InChIInChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3
InChIKeyOXUSXZKCZWGDKD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.59
Rot. Bonds3

About 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol

5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol (PubChem CID 169454499) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
PubChem CID169454499
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(C=CCO)c1O
InChIInChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3
InChIKeyOXUSXZKCZWGDKD-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]hex-1-en-3-one
CID 164608540
5-(hydroxymethyl)-2-methyl-4-(2-methylpropyliminomethyl)pyridin-3-ol
CID 137100245
4-[(4-aminophenyl)iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 146020844
5-(hydroxymethyl)-2-methyl-4-[[(1R,2R)-2-methylcyclohexyl]iminomethyl]pyridin-3-ol
CID 135828613
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
4-[2-[2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-3-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]ethyl]imidazolidin-1-yl]ethyliminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 136716589
bis[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CID 172708958
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171109663
(2S)-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]butanedioic acid
CID 136825834
2-[3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]prop-2-enoylamino]benzoic acid
CID 72996507
2-[[(E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]prop-2-enoyl]amino]benzoic acid
CID 11529967
5-(hydroxymethyl)-2-methyl-4-[(4-methylphenyl)iminomethyl]pyridin-3-ol;phosphoric acid
CID 172694491

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol (CID 169454499) is 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(C=CCO)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
The InChIKey is OXUSXZKCZWGDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-10(14)9(3-2-4-12)8(6-13)5-11-7/h2-3,5,12-14H,4,6H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol has a molecular weight of 195.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-(3-hydroxyprop-1-enyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 169454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).