3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one

C14H10Cl2F3NO2 — CID 54695991

IUPAC3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO2/c15-9-2-1-8(11(16)6-9)5-10-12(21)3-4-20(13(10)22)7-14(17,18)19/h1-4,6,21H,5,7H2
InChIKeyUNEGKJOMTTVNJB-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.01
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 54695991) has the molecular formula C14H10Cl2F3NO2 and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID54695991
Molecular FormulaC14H10Cl2F3NO2
Molecular Weight352.14 g/mol
Exact Mass351.00
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO2/c15-9-2-1-8(11(16)6-9)5-10-12(21)3-4-20(13(10)22)7-14(17,18)19/h1-4,6,21H,5,7H2
InChIKeyUNEGKJOMTTVNJB-UHFFFAOYSA-N
XLogP4.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 54695991) is 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC(F)(F)F.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is UNEGKJOMTTVNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2/c15-9-2-1-8(11(16)6-9)5-10-12(21)3-4-20(13(10)22)7-14(17,18)19/h1-4,6,21H,5,7H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 352.14 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 54695991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).