6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one

C10H12N2O3 — CID 20801690

IUPAC6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCO)c1=O
InChIInChI=1S/C10H12N2O3/c1-6-7(2)9(14)12(4-5-13)10(15)8(6)11-3/h13-14H,4-5H2,1-2H3
InChIKeyIDQJPDIWHQARAA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.71
Rot. Bonds2

About 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one

6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one (PubChem CID 20801690) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one
PubChem CID20801690
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(C)c(O)n(CCO)c1=O
InChIInChI=1S/C10H12N2O3/c1-6-7(2)9(14)12(4-5-13)10(15)8(6)11-3/h13-14H,4-5H2,1-2H3
InChIKeyIDQJPDIWHQARAA-UHFFFAOYSA-N
XLogP0.71
TPSA66.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.71
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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Related Compounds

1-(2,3-Dihydroxypropyl)-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801677
1-(2-Ethoxyethyl)-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801678
1-(3-Ethoxypropyl)-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801680
2-(2-Hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl acetate
CID 20801682
6-Hydroxy-1-(1-hydroxybutan-2-yl)-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801686
6-Hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801687
6-Hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-3-isocyano-4,5-dimethylpyridin-2-one
CID 20801688
6-Hydroxy-3-isocyano-1-(2-methoxyethyl)-4,5-dimethylpyridin-2-one
CID 20801692
1-Ethyl-6-hydroxy-3-isocyano-4,5-dimethylpyridin-2-one
CID 59676324
6-Hydroxy-3-isocyano-1,4,5-trimethylpyridin-2-one
CID 59676332
1-(2-hydroxyethyl)-5-isocyano-4-methyl-3H-pyridine-2,6-dione
CID 59992600
6-Hydroxy-1-(2-hydroxyethyl)-5-isocyano-4-methylpyridin-2-one
CID 91404059

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one (CID 20801690) is 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one is [C-]#[N+]c1c(C)c(C)c(O)n(CCO)c1=O.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one?
The InChIKey is IDQJPDIWHQARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-7(2)9(14)12(4-5-13)10(15)8(6)11-3/h13-14H,4-5H2,1-2H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one?
6-hydroxy-1-(2-hydroxyethyl)-3-isocyano-4,5-dimethylpyridin-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.71, 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)-3-isocyano-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 20801690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).