3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one

C14H10Cl2F3NO2 — CID 141221406

IUPAC3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-3,6-7H,4-5H2,(H,20,21)
InChIKeyHKDFUDIYSOOFJS-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.37
Rot. Bonds4

About 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one

3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one (PubChem CID 141221406) has the molecular formula C14H10Cl2F3NO2 and a molecular weight of 352.14 g/mol. Its IUPAC name is 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
PubChem CID141221406
Molecular FormulaC14H10Cl2F3NO2
Molecular Weight352.14 g/mol
Exact Mass351.00
IUPAC Name3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-3,6-7H,4-5H2,(H,20,21)
InChIKeyHKDFUDIYSOOFJS-UHFFFAOYSA-N
XLogP4.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one (CID 141221406) is 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one is O=c1[nH]c(CCc2cccc(OC(F)(F)F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
The InChIKey is HKDFUDIYSOOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2/c15-10-7-11(16)13(21)20-12(10)5-4-8-2-1-3-9(6-8)22-14(17,18)19/h1-3,6-7H,4-5H2,(H,20,21).
What are the key properties of 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one?
3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one has a molecular weight of 352.14 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).