6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

C11H8F3N3O — CID 23318797

IUPAC6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(F)(F)F)cc1-c1ncccn1
InChIInChI=1S/C11H8F3N3O/c1-6-7(9-15-3-2-4-16-9)5-8(10(18)17-6)11(12,13)14/h2-5H,1H3,(H,17,18)
InChIKeyQMJKSVCCGNOZST-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.16
Rot. Bonds1

About 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 23318797) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID23318797
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(F)(F)F)cc1-c1ncccn1
InChIInChI=1S/C11H8F3N3O/c1-6-7(9-15-3-2-4-16-9)5-8(10(18)17-6)11(12,13)14/h2-5H,1H3,(H,17,18)
InChIKeyQMJKSVCCGNOZST-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 23318797) is 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(F)(F)F)cc1-c1ncccn1.
What is the InChIKey of 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QMJKSVCCGNOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-6-7(9-15-3-2-4-16-9)5-8(10(18)17-6)11(12,13)14/h2-5H,1H3,(H,17,18).
What are the key properties of 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 255.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-pyrimidin-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 23318797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).