5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol

C9H9NO2 — CID 13491773

IUPAC5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESC#Cc1cnc(C)c(O)c1CO
InChIInChI=1S/C9H9NO2/c1-3-7-4-10-6(2)9(12)8(7)5-11/h1,4,11-12H,5H2,2H3
InChIKeyIXBFPLHNJONHNA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.57
Rot. Bonds1

About 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol

5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 13491773) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID13491773
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESC#Cc1cnc(C)c(O)c1CO
InChIInChI=1S/C9H9NO2/c1-3-7-4-10-6(2)9(12)8(7)5-11/h1,4,11-12H,5H2,2H3
InChIKeyIXBFPLHNJONHNA-UHFFFAOYSA-N
XLogP0.57
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanone
CID 23342911
4-(hydroxymethyl)-5-(isothiocyanatomethyl)-2-methylpyridin-3-ol
CID 165352065
potassium;hydride;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 174533027
5-(hydroxymethyl)-2-methyl-4-[(pent-4-yn-2-ylamino)methyl]pyridin-3-ol
CID 116686523
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
(E)-3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]prop-2-enoic acid
CID 54591031
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylimino-iminoazanium
CID 6334276
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

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol (CID 13491773) is 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol is C#Cc1cnc(C)c(O)c1CO.
What is the InChIKey of 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is IXBFPLHNJONHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-7-4-10-6(2)9(12)8(7)5-11/h1,4,11-12H,5H2,2H3.
What are the key properties of 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol?
5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 163.18 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 13491773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).