4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

C7H3ClF5NO2 — CID 118810617

IUPAC4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(C(F)F)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C7H3ClF5NO2/c8-2-1-3(15)14-6(4(2)5(9)10)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyWQJLPVHBMKODMO-UHFFFAOYSA-N
MW263.55 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one

4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118810617) has the molecular formula C7H3ClF5NO2 and a molecular weight of 263.55 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118810617
Molecular FormulaC7H3ClF5NO2
Molecular Weight263.55 g/mol
Exact Mass262.98
IUPAC Name4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(Cl)c(C(F)F)c(OC(F)(F)F)[nH]1
InChIInChI=1S/C7H3ClF5NO2/c8-2-1-3(15)14-6(4(2)5(9)10)16-7(11,12)13/h1,5H,(H,14,15)
InChIKeyWQJLPVHBMKODMO-UHFFFAOYSA-N
XLogP2.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one (CID 118810617) is 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(Cl)c(C(F)F)c(OC(F)(F)F)[nH]1.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is WQJLPVHBMKODMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5NO2/c8-2-1-3(15)14-6(4(2)5(9)10)16-7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one?
4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 263.55 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-6-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118810617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).