6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

C11H7ClF3N3O3 — CID 4847047

IUPAC6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H7ClF3N3O3/c12-7-1-5(11(13,14)15)3-18(9(7)20)4-6-2-8(19)17-10(21)16-6/h1-3H,4H2,(H2,16,17,19,21)
InChIKeyYVPKHFQVNQIXPE-UHFFFAOYSA-N
MW321.64 g/mol
LogP0.95
Rot. Bonds2

About 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 4847047) has the molecular formula C11H7ClF3N3O3 and a molecular weight of 321.64 g/mol. Its IUPAC name is 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID4847047
Molecular FormulaC11H7ClF3N3O3
Molecular Weight321.64 g/mol
Exact Mass321.01
IUPAC Name6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H7ClF3N3O3/c12-7-1-5(11(13,14)15)3-18(9(7)20)4-6-2-8(19)17-10(21)16-6/h1-3H,4H2,(H2,16,17,19,21)
InChIKeyYVPKHFQVNQIXPE-UHFFFAOYSA-N
XLogP0.95
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.64
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione 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 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (CID 4847047) is 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is O=c1cc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YVPKHFQVNQIXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O3/c12-7-1-5(11(13,14)15)3-18(9(7)20)4-6-2-8(19)17-10(21)16-6/h1-3H,4H2,(H2,16,17,19,21).
What are the key properties of 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 321.64 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4847047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).