4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C10H5F4N3O — CID 136802824

IUPAC4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(F)c2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H5F4N3O/c11-6-1-5(3-15-4-6)7-2-8(18)17-9(16-7)10(12,13)14/h1-4H,(H,16,17,18)
InChIKeyGBLKCFMPRSHKSE-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.99
Rot. Bonds1

About 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802824) has the molecular formula C10H5F4N3O and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802824
Molecular FormulaC10H5F4N3O
Molecular Weight259.16 g/mol
Exact Mass259.04
IUPAC Name4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(F)c2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C10H5F4N3O/c11-6-1-5(3-15-4-6)7-2-8(18)17-9(16-7)10(12,13)14/h1-4H,(H,16,17,18)
InChIKeyGBLKCFMPRSHKSE-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrimidin-5-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000861
5-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-4-yl]pyridine-3-carbonitrile
CID 136802883
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
6-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515766
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
3-(5-fluoro-3-pyridinyl)-1H-pyridazin-6-one
CID 106515794
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
4-(3-bromo-2,6-difluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136767104
2-methyl-4-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137107220
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802824) is 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(-c2cncc(F)c2)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is GBLKCFMPRSHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3O/c11-6-1-5(3-15-4-6)7-2-8(18)17-9(16-7)10(12,13)14/h1-4H,(H,16,17,18).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 259.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).