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

C8H5F6NO3 — CID 134659569

IUPAC2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C8H5F6NO3/c1-17-6-5(18-8(12,13)14)3(16)2-4(15-6)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyKQWVNUMHBPNFKH-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.30
Rot. Bonds2

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

2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 134659569) has the molecular formula C8H5F6NO3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID134659569
Molecular FormulaC8H5F6NO3
Molecular Weight277.12 g/mol
Exact Mass277.02
IUPAC Name2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1OC(F)(F)F
InChIInChI=1S/C8H5F6NO3/c1-17-6-5(18-8(12,13)14)3(16)2-4(15-6)7(9,10)11/h2H,1H3,(H,15,16)
InChIKeyKQWVNUMHBPNFKH-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 134659569) is 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is COc1[nH]c(C(F)(F)F)cc(=O)c1OC(F)(F)F.
What is the InChIKey of 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is KQWVNUMHBPNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO3/c1-17-6-5(18-8(12,13)14)3(16)2-4(15-6)7(9,10)11/h2H,1H3,(H,15,16).
What are the key properties of 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one?
2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-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 2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 134659569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).