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

C8H6F5NO2 — CID 130083350

IUPAC3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-5(6(9)10)3(15)2-4(14-7)8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyCNALUFJIFAJPLR-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.34
Rot. Bonds2

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

3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 130083350) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID130083350
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F
InChIInChI=1S/C8H6F5NO2/c1-16-7-5(6(9)10)3(15)2-4(14-7)8(11,12)13/h2,6H,1H3,(H,14,15)
InChIKeyCNALUFJIFAJPLR-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 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (CID 130083350) is 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is COc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is CNALUFJIFAJPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c1-16-7-5(6(9)10)3(15)2-4(14-7)8(11,12)13/h2,6H,1H3,(H,14,15).
What are the key properties of 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-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 3-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130083350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).