4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 118811657

IUPAC4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-5(8(11,12)13)3(6(9)10)2-4(15)14-7/h2,6H,1H3,(H,14,15)
InChIKeyCWYZFXLQUBKVDL-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.34
Rot. Bonds2

About 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one

4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118811657) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118811657
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-5(8(11,12)13)3(6(9)10)2-4(15)14-7/h2,6H,1H3,(H,14,15)
InChIKeyCWYZFXLQUBKVDL-UHFFFAOYSA-N
XLogP2.34
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118811657) is 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one is COc1[nH]c(=O)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is CWYZFXLQUBKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-7-5(8(11,12)13)3(6(9)10)2-4(15)14-7/h2,6H,1H3,(H,14,15).
What are the key properties of 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one?
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 243.13 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118811657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).