3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one

C6H2Cl2F3NO2 — CID 130093810

IUPAC3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyIXHVYQRELCWJHM-UHFFFAOYSA-N
MW247.99 g/mol
LogP2.58
Rot. Bonds1

About 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one

3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130093810) has the molecular formula C6H2Cl2F3NO2 and a molecular weight of 247.99 g/mol. Its IUPAC name is 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130093810
Molecular FormulaC6H2Cl2F3NO2
Molecular Weight247.99 g/mol
Exact Mass246.94
IUPAC Name3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H2Cl2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13)
InChIKeyIXHVYQRELCWJHM-UHFFFAOYSA-N
XLogP2.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.99
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 130093810) is 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(OC(F)(F)F)c1Cl.
What is the InChIKey of 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is IXHVYQRELCWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F3NO2/c7-2-1-12-5(13)3(8)4(2)14-6(9,10)11/h1H,(H,12,13).
What are the key properties of 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one?
3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 247.99 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130093810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).