6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one

C10H6F3N3O — CID 106516207

IUPAC6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cncnc2)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-1-8(16-9(17)2-7)6-3-14-5-15-4-6/h1-5H,(H,16,17)
InChIKeySGYVGXHWVRVPCX-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.85
Rot. Bonds1

About 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one

6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 106516207) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID106516207
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cncnc2)[nH]1
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)7-1-8(16-9(17)2-7)6-3-14-5-15-4-6/h1-5H,(H,16,17)
InChIKeySGYVGXHWVRVPCX-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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Related Compounds

6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
6-(3,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106513664
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
6-(3,4-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516941
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516381
4-pyrimidin-5-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000861
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
6-(2,5-difluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517237
6-(3-ethoxyphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519859
5-(trifluoromethyl)pyrimidine
CID 15273573

Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 106516207) is 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cncnc2)[nH]1.
What is the InChIKey of 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SGYVGXHWVRVPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)7-1-8(16-9(17)2-7)6-3-14-5-15-4-6/h1-5H,(H,16,17).
What are the key properties of 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-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 6-pyrimidin-5-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 106516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).