3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

C13H9Cl2F3N2O — CID 1486037

IUPAC3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O/c14-9-2-1-3-10(15)8(9)6-20-5-7(13(16,17)18)4-11(19)12(20)21/h1-5H,6,19H2
InChIKeyJVBREALHAYEUNG-UHFFFAOYSA-N
MW337.13 g/mol
LogP3.80
Rot. Bonds2

About 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 1486037) has the molecular formula C13H9Cl2F3N2O and a molecular weight of 337.13 g/mol. Its IUPAC name is 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID1486037
Molecular FormulaC13H9Cl2F3N2O
Molecular Weight337.13 g/mol
Exact Mass336.00
IUPAC Name3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C13H9Cl2F3N2O/c14-9-2-1-3-10(15)8(9)6-20-5-7(13(16,17)18)4-11(19)12(20)21/h1-5H,6,19H2
InChIKeyJVBREALHAYEUNG-UHFFFAOYSA-N
XLogP3.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 1486037) is 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JVBREALHAYEUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O/c14-9-2-1-3-10(15)8(9)6-20-5-7(13(16,17)18)4-11(19)12(20)21/h1-5H,6,19H2.
What are the key properties of 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 337.13 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,6-dichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 1486037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).