1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one

C11H8F3N3O — CID 72902005

IUPAC1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1ncccn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-3-1-6-17(10(8)18)7-9-15-4-2-5-16-9/h1-6H,7H2
InChIKeyGVHWQOWQHLGXDH-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.71
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one

1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72902005) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID72902005
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1Cc1ncccn1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-3-1-6-17(10(8)18)7-9-15-4-2-5-16-9/h1-6H,7H2
InChIKeyGVHWQOWQHLGXDH-UHFFFAOYSA-N
XLogP1.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one (CID 72902005) is 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is GVHWQOWQHLGXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-3-1-6-17(10(8)18)7-9-15-4-2-5-16-9/h1-6H,7H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one?
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 255.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72902005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).