2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H4Cl2F3N3O — CID 135794340

IUPAC2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2cc(Cl)nc(Cl)c2)[nH]1
InChIInChI=1S/C10H4Cl2F3N3O/c11-6-1-4(2-7(12)17-6)9-16-5(10(13,14)15)3-8(19)18-9/h1-3H,(H,16,18,19)
InChIKeyGBUQWAWFSGSYHK-UHFFFAOYSA-N
MW310.06 g/mol
LogP3.16
Rot. Bonds1

About 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135794340) has the molecular formula C10H4Cl2F3N3O and a molecular weight of 310.06 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135794340
Molecular FormulaC10H4Cl2F3N3O
Molecular Weight310.06 g/mol
Exact Mass308.97
IUPAC Name2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(-c2cc(Cl)nc(Cl)c2)[nH]1
InChIInChI=1S/C10H4Cl2F3N3O/c11-6-1-4(2-7(12)17-6)9-16-5(10(13,14)15)3-8(19)18-9/h1-3H,(H,16,18,19)
InChIKeyGBUQWAWFSGSYHK-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.06
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]benzoic acid
CID 148740046
2-(2-fluorophenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740728
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrimidin-6-one
CID 135446520
2-phenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-6-one
CID 136852890
4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 160836213
2-(ethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135484722
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
2-[(6-chloro-3-pyridinyl)methylsulfonylmethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136772751
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
2-[bis(prop-2-enyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741417
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135674880
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
CID 145468613

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135794340) is 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(-c2cc(Cl)nc(Cl)c2)[nH]1.
What is the InChIKey of 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is GBUQWAWFSGSYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3O/c11-6-1-4(2-7(12)17-6)9-16-5(10(13,14)15)3-8(19)18-9/h1-3H,(H,16,18,19).
What are the key properties of 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 310.06 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-pyridinyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).