2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H6F3N3O — CID 135410009

IUPAC2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-4-8(17)16-9(15-7)6-2-1-3-14-5-6/h1-5H,(H,15,16,17)
InChIKeyAXOWDDVEWIYBFK-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.85
Rot. Bonds1

About 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135410009) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135410009
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2cccnc2)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-4-8(17)16-9(15-7)6-2-1-3-14-5-6/h1-5H,(H,15,16,17)
InChIKeyAXOWDDVEWIYBFK-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135410009) is 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(-c2cccnc2)[nH]1.
What is the InChIKey of 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is AXOWDDVEWIYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)7-4-8(17)16-9(15-7)6-2-1-3-14-5-6/h1-5H,(H,15,16,17).
What are the key properties of 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 241.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135410009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).