3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one

C12H10ClF4N3O3 — CID 166645962

IUPAC3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
SMILESCN1C(C(F)(F)F)=CC(=O)N(c2nc(CO)c(Cl)cc2F)C1O
InChIInChI=1S/C12H10ClF4N3O3/c1-19-8(12(15,16)17)3-9(22)20(11(19)23)10-6(14)2-5(13)7(4-21)18-10/h2-3,11,21,23H,4H2,1H3
InChIKeyIVOXQCYACJBDOF-UHFFFAOYSA-N
MW355.68 g/mol
LogP1.37
Rot. Bonds2

About 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one

3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one (PubChem CID 166645962) has the molecular formula C12H10ClF4N3O3 and a molecular weight of 355.68 g/mol. Its IUPAC name is 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one.

Molecular Properties

Compound Name3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
PubChem CID166645962
Molecular FormulaC12H10ClF4N3O3
Molecular Weight355.68 g/mol
Exact Mass355.03
IUPAC Name3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
SMILESCN1C(C(F)(F)F)=CC(=O)N(c2nc(CO)c(Cl)cc2F)C1O
InChIInChI=1S/C12H10ClF4N3O3/c1-19-8(12(15,16)17)3-9(22)20(11(19)23)10-6(14)2-5(13)7(4-21)18-10/h2-3,11,21,23H,4H2,1H3
InChIKeyIVOXQCYACJBDOF-UHFFFAOYSA-N
XLogP1.37
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.68
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The IUPAC name of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one (CID 166645962) is 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one.
What is the SMILES notation for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The canonical SMILES for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one is CN1C(C(F)(F)F)=CC(=O)N(c2nc(CO)c(Cl)cc2F)C1O.
What is the InChIKey of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
The InChIKey is IVOXQCYACJBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF4N3O3/c1-19-8(12(15,16)17)3-9(22)20(11(19)23)10-6(14)2-5(13)7(4-21)18-10/h2-3,11,21,23H,4H2,1H3.
What are the key properties of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one?
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one has a molecular weight of 355.68 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one is sourced from PubChem (CID 166645962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).