6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C13H10F3NO2 — CID 53218223

IUPAC6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccc(=O)[nH]1
InChIInChI=1S/C13H10F3NO2/c1-19-11-6-5-8(13(14,15)16)7-9(11)10-3-2-4-12(18)17-10/h2-7H,1H3,(H,17,18)
InChIKeyHCKOYQSKVAKONF-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.07
Rot. Bonds2

About 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one

6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 53218223) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID53218223
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESCOc1ccc(C(F)(F)F)cc1-c1cccc(=O)[nH]1
InChIInChI=1S/C13H10F3NO2/c1-19-11-6-5-8(13(14,15)16)7-9(11)10-3-2-4-12(18)17-10/h2-7H,1H3,(H,17,18)
InChIKeyHCKOYQSKVAKONF-UHFFFAOYSA-N
XLogP3.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 53218223) is 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one is COc1ccc(C(F)(F)F)cc1-c1cccc(=O)[nH]1.
What is the InChIKey of 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is HCKOYQSKVAKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-19-11-6-5-8(13(14,15)16)7-9(11)10-3-2-4-12(18)17-10/h2-7H,1H3,(H,17,18).
What are the key properties of 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one has a molecular weight of 269.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 53218223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).