6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one

C9H10N2O3 — CID 91404059

IUPAC6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)cc(=O)n(CCO)c1O
InChIInChI=1S/C9H10N2O3/c1-6-5-7(13)11(3-4-12)9(14)8(6)10-2/h5,12,14H,3-4H2,1H3
InChIKeyWQUDAYVHOQENFR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.41
Rot. Bonds2

About 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one

6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one (PubChem CID 91404059) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one
PubChem CID91404059
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)cc(=O)n(CCO)c1O
InChIInChI=1S/C9H10N2O3/c1-6-5-7(13)11(3-4-12)9(14)8(6)10-2/h5,12,14H,3-4H2,1H3
InChIKeyWQUDAYVHOQENFR-UHFFFAOYSA-N
XLogP0.41
TPSA66.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one (CID 91404059) is 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one is [C-]#[N+]c1c(C)cc(=O)n(CCO)c1O.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one?
The InChIKey is WQUDAYVHOQENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-5-7(13)11(3-4-12)9(14)8(6)10-2/h5,12,14H,3-4H2,1H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one?
6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one is sourced from PubChem (CID 91404059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).