3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one

C8H5F6NO3 — CID 134677601

IUPAC3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c(C(F)(F)F)cc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5F6NO3/c1-17-5-3(7(9,10)11)2-4(15-6(5)16)18-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeySVFJVBXNYYBILN-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.30
Rot. Bonds2

About 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one

3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 134677601) has the molecular formula C8H5F6NO3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID134677601
Molecular FormulaC8H5F6NO3
Molecular Weight277.12 g/mol
Exact Mass277.02
IUPAC Name3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOc1c(C(F)(F)F)cc(OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5F6NO3/c1-17-5-3(7(9,10)11)2-4(15-6(5)16)18-8(12,13)14/h2H,1H3,(H,15,16)
InChIKeySVFJVBXNYYBILN-UHFFFAOYSA-N
XLogP2.30
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
3,4-dimethyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 131168157
3-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134658855
3-iodo-4-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111059
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
methyl 2-[3-methoxy-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665717
6-(chloromethyl)-3-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111759
4-methyl-2-oxo-6-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134679128
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
methyl 6-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659863
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134659569
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 134677601) is 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one is COc1c(C(F)(F)F)cc(OC(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SVFJVBXNYYBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO3/c1-17-5-3(7(9,10)11)2-4(15-6(5)16)18-8(12,13)14/h2H,1H3,(H,15,16).
What are the key properties of 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one?
3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 277.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134677601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).