3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one

C6H4ClF3N2O — CID 105466323

IUPAC3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H4ClF3N2O/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,11H2,(H,12,13)
InChIKeyDJRZETBCLFYWFL-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.63
Rot. Bonds

About 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one

3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 105466323) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID105466323
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H4ClF3N2O/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,11H2,(H,12,13)
InChIKeyDJRZETBCLFYWFL-UHFFFAOYSA-N
XLogP1.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one (CID 105466323) is 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one is Nc1cc(Cl)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DJRZETBCLFYWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-2-1-3(11)5(13)12-4(2)6(8,9)10/h1H,11H2,(H,12,13).
What are the key properties of 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one?
3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 212.56 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 105466323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).