3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one

C6H3ClF3NO2 — CID 130089679

IUPAC3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO2/c7-4-3(12)1-2-11-5(4)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeySADKTFSKTJSSOI-UHFFFAOYSA-N
MW213.54 g/mol
LogP1.93
Rot. Bonds1

About 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one

3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130089679) has the molecular formula C6H3ClF3NO2 and a molecular weight of 213.54 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130089679
Molecular FormulaC6H3ClF3NO2
Molecular Weight213.54 g/mol
Exact Mass212.98
IUPAC Name3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO2/c7-4-3(12)1-2-11-5(4)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeySADKTFSKTJSSOI-UHFFFAOYSA-N
XLogP1.93
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.54
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one (CID 130089679) is 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one is O=c1cc[nH]c(OC(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is SADKTFSKTJSSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO2/c7-4-3(12)1-2-11-5(4)13-6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one?
3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 213.54 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130089679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).