1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one

C11H7F3N2O — CID 68796307

IUPAC1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1-c1ccccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-4-3-7-16(10(8)17)9-5-1-2-6-15-9/h1-7H
InChIKeySYSYXIVGMQVZLK-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.25
Rot. Bonds1

About 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one

1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 68796307) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
PubChem CID68796307
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1-c1ccccn1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)8-4-3-7-16(10(8)17)9-5-1-2-6-15-9/h1-7H
InChIKeySYSYXIVGMQVZLK-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one (CID 68796307) is 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is SYSYXIVGMQVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)8-4-3-7-16(10(8)17)9-5-1-2-6-15-9/h1-7H.
What are the key properties of 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one?
1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 68796307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).