3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

C12H6F6N2O — CID 154630724

IUPAC3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)7-3-1-5-19-9(7)20-6-2-4-8(10(20)21)12(16,17)18/h1-6H
InChIKeyCGFJXRWHUSVRSJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.27
Rot. Bonds1

About 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 154630724) has the molecular formula C12H6F6N2O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
PubChem CID154630724
Molecular FormulaC12H6F6N2O
Molecular Weight308.18 g/mol
Exact Mass308.04
IUPAC Name3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C12H6F6N2O/c13-11(14,15)7-3-1-5-19-9(7)20-6-2-4-8(10(20)21)12(16,17)18/h1-6H
InChIKeyCGFJXRWHUSVRSJ-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
CID 173026104
3-hydroxy-1-(3-hydroxy-2-pyridinyl)pyridin-2-one
CID 12910142
1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
CID 138648730
4-bromo-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 66854098
2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327559
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one
CID 135362723
2-[(3R)-3-deuteriopiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 175941093
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
1-(methylamino)-3-(trifluoromethyl)pyridin-2-one
CID 139440695
[1,3]diazepino[1,2-b]isoindol-7-one
CID 57033630

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 154630724) is 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is O=c1c(C(F)(F)F)cccn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is CGFJXRWHUSVRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2O/c13-11(14,15)7-3-1-5-19-9(7)20-6-2-4-8(10(20)21)12(16,17)18/h1-6H.
What are the key properties of 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 308.18 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154630724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).