5,6-bis(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 131282981

IUPAC5,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(15)14-5(3)7(11,12)13/h1-2H,(H,14,15)
InChIKeySHYSSTLZXDZOLY-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.41
Rot. Bonds

About 5,6-bis(trifluoromethyl)-1H-pyridin-2-one

5,6-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 131282981) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 5,6-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID131282981
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name5,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)c(C(F)(F)F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(15)14-5(3)7(11,12)13/h1-2H,(H,14,15)
InChIKeySHYSSTLZXDZOLY-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
5-Methyl-6-(trifluoromethyl)pyridin-2-ol
CID 58172802
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
6-Hydroxy-2-(trifluoromethyl)nicotinonitrile
CID 83402046
6-(1,1-Difluoroethyl)pyridin-2-ol
CID 84764065
6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
6-Methyl-5-(trifluoromethyl)pyridin-2-ol
CID 143625923

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5,6-bis(trifluoromethyl)-1H-pyridin-2-one (CID 131282981) is 5,6-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5,6-bis(trifluoromethyl)-1H-pyridin-2-one is O=c1ccc(C(F)(F)F)c(C(F)(F)F)[nH]1.
What is the InChIKey of 5,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SHYSSTLZXDZOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-6(9,10)3-1-2-4(15)14-5(3)7(11,12)13/h1-2H,(H,14,15).
What are the key properties of 5,6-bis(trifluoromethyl)-1H-pyridin-2-one?
5,6-bis(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 231.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 131282981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).