1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one

C10H12ClF3N2O — CID 82144141

IUPAC1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(N)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H12ClF3N2O/c1-9(2,15)5-16-4-6(10(12,13)14)3-7(11)8(16)17/h3-4H,5,15H2,1-2H3
InChIKeyJJTQGKAHYMHUJW-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one

1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one (PubChem CID 82144141) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
PubChem CID82144141
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(N)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C10H12ClF3N2O/c1-9(2,15)5-16-4-6(10(12,13)14)3-7(11)8(16)17/h3-4H,5,15H2,1-2H3
InChIKeyJJTQGKAHYMHUJW-UHFFFAOYSA-N
XLogP2.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one (CID 82144141) is 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one is CC(C)(N)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JJTQGKAHYMHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-9(2,15)5-16-4-6(10(12,13)14)3-7(11)8(16)17/h3-4H,5,15H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one?
1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 268.67 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 82144141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).