5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one

C8H6F5NO2 — CID 130083363

IUPAC5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c(C(F)(F)F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H6F5NO2/c1-16-5-4(8(11,12)13)3(6(9)10)2-14-7(5)15/h2,6H,1H3,(H,14,15)
InChIKeyBRNOILWHVRDLRV-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.34
Rot. Bonds2

About 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one

5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130083363) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130083363
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c(C(F)(F)F)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H6F5NO2/c1-16-5-4(8(11,12)13)3(6(9)10)2-14-7(5)15/h2,6H,1H3,(H,14,15)
InChIKeyBRNOILWHVRDLRV-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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Related Compounds

2-Hydroxy-3-methoxy-5-(trifluoromethyl)pyridine
CID 23049010
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
2-Hydroxy-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704354
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 130092983
4-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153933574
3-methoxy-5-methyl-4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 154508416
5-ethenyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 177032160
4-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-2-ol
CID 118801175
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 118806028
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-(fluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806046
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one (CID 130083363) is 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one is COc1c(C(F)(F)F)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BRNOILWHVRDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-5-4(8(11,12)13)3(6(9)10)2-14-7(5)15/h2,6H,1H3,(H,14,15).
What are the key properties of 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(difluoromethyl)-3-methoxy-4-(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 5-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130083363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).