4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

C7H5F5N2O — CID 118812173

IUPAC4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)F)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C7H5F5N2O/c8-5(9)2-1-14-6(15)3(4(2)13)7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyJRSJQHYRRIBDPT-UHFFFAOYSA-N
MW228.12 g/mol
LogP1.91
Rot. Bonds1

About 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118812173) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118812173
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)F)c[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C7H5F5N2O/c8-5(9)2-1-14-6(15)3(4(2)13)7(10,11)12/h1,5H,(H3,13,14,15)
InChIKeyJRSJQHYRRIBDPT-UHFFFAOYSA-N
XLogP1.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118812173) is 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is Nc1c(C(F)F)c[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JRSJQHYRRIBDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-5(9)2-1-14-6(15)3(4(2)13)7(10,11)12/h1,5H,(H3,13,14,15).
What are the key properties of 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 228.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118812173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).