3-amino-4-(trifluoromethyl)-1H-pyridin-2-one

C6H5F3N2O — CID 19065070

IUPAC3-amino-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12)
InChIKeySJXJEMYJLUPVJX-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.98
Rot. Bonds

About 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one

3-amino-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 19065070) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID19065070
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name3-amino-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12)
InChIKeySJXJEMYJLUPVJX-UHFFFAOYSA-N
XLogP0.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one (CID 19065070) is 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one is Nc1c(C(F)(F)F)cc[nH]c1=O.
What is the InChIKey of 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SJXJEMYJLUPVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-2-11-5(12)4(3)10/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one?
3-amino-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 178.11 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).