2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C10H12F3IN2O3 — CID 90346849

IUPAC2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCN(C)Cc1c(O)c(=O)cc(C(O)C(F)(F)F)n1I
InChIInChI=1S/C10H12F3IN2O3/c1-15(2)4-6-8(18)7(17)3-5(16(6)14)9(19)10(11,12)13/h3,9,18-19H,4H2,1-2H3
InChIKeyGLOCZLLATFOOHT-UHFFFAOYSA-N
MW392.12 g/mol
LogP1.41
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 90346849) has the molecular formula C10H12F3IN2O3 and a molecular weight of 392.12 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID90346849
Molecular FormulaC10H12F3IN2O3
Molecular Weight392.12 g/mol
Exact Mass391.98
IUPAC Name2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCN(C)Cc1c(O)c(=O)cc(C(O)C(F)(F)F)n1I
InChIInChI=1S/C10H12F3IN2O3/c1-15(2)4-6-8(18)7(17)3-5(16(6)14)9(19)10(11,12)13/h3,9,18-19H,4H2,1-2H3
InChIKeyGLOCZLLATFOOHT-UHFFFAOYSA-N
XLogP1.41
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 90346849) is 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is CN(C)Cc1c(O)c(=O)cc(C(O)C(F)(F)F)n1I.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is GLOCZLLATFOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3IN2O3/c1-15(2)4-6-8(18)7(17)3-5(16(6)14)9(19)10(11,12)13/h3,9,18-19H,4H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 392.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 90346849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).