3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C12H8ClF4N3O2 — CID 18717331

IUPAC3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C12H8ClF4N3O2/c1-5-6(13)3-7(14)10(18-5)20-9(21)4-8(12(15,16)17)19(2)11(20)22/h3-4H,1-2H3
InChIKeyYXBGWROHDBPJTO-UHFFFAOYSA-N
MW337.66 g/mol
LogP2.05
Rot. Bonds1

About 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 18717331) has the molecular formula C12H8ClF4N3O2 and a molecular weight of 337.66 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID18717331
Molecular FormulaC12H8ClF4N3O2
Molecular Weight337.66 g/mol
Exact Mass337.02
IUPAC Name3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C12H8ClF4N3O2/c1-5-6(13)3-7(14)10(18-5)20-9(21)4-8(12(15,16)17)19(2)11(20)22/h3-4H,1-2H3
InChIKeyYXBGWROHDBPJTO-UHFFFAOYSA-N
XLogP2.05
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.66
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 18717331) is 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl.
What is the InChIKey of 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is YXBGWROHDBPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3O2/c1-5-6(13)3-7(14)10(18-5)20-9(21)4-8(12(15,16)17)19(2)11(20)22/h3-4H,1-2H3.
What are the key properties of 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 337.66 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-fluoro-6-methyl-2-pyridinyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 18717331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).