1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one

C14H12ClF3N2O — CID 102663327

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNCc1ccc(Cn2c(C(F)(F)F)cccc2=O)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2O/c15-11-6-9(7-19)4-5-10(11)8-20-12(14(16,17)18)2-1-3-13(20)21/h1-6H,7-8,19H2
InChIKeyAEYNZYNVKXRNRN-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.03
Rot. Bonds3

About 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 102663327) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID102663327
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNCc1ccc(Cn2c(C(F)(F)F)cccc2=O)c(Cl)c1
InChIInChI=1S/C14H12ClF3N2O/c15-11-6-9(7-19)4-5-10(11)8-20-12(14(16,17)18)2-1-3-13(20)21/h1-6H,7-8,19H2
InChIKeyAEYNZYNVKXRNRN-UHFFFAOYSA-N
XLogP3.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one (CID 102663327) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one is NCc1ccc(Cn2c(C(F)(F)F)cccc2=O)c(Cl)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is AEYNZYNVKXRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-11-6-9(7-19)4-5-10(11)8-20-12(14(16,17)18)2-1-3-13(20)21/h1-6H,7-8,19H2.
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.71 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 102663327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).