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

C6H5F3N2O — CID 57347020

IUPAC5-amino-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESNc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,10H2,(H,11,12)
InChIKeyHGRBXDHMWGUDPV-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.98
Rot. Bonds

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

5-amino-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 57347020) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-amino-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID57347020
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name5-amino-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESNc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,10H2,(H,11,12)
InChIKeyHGRBXDHMWGUDPV-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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Related Compounds

2-(Trifluoromethyl)pyridin-4-ol
CID 10953849
5-Methyl-2-(trifluoromethyl)pyridin-4-ol
CID 15836685
2-(Difluoromethyl)pyridin-4-ol
CID 17968263
5-Iodo-2-(trifluoromethyl)-4-pyridinol
CID 58053807
5-Fluoro-2-methylpyridin-4-OL
CID 127032713
3-Amino-2-fluoropyridin-4-ol
CID 130923611
2-(fluoromethyl)-1H-pyridin-4-one
CID 84762203
2-(Perfluoroethyl)pyridin-4-ol
CID 87361825
5-Amino-2-fluoropyridin-4-ol
CID 92133077
4-Hydroxy-3-iodo-2-(trifluoromethyl)pyridine
CID 118704353
3-Fluoro-2-methylpyridin-4-ol
CID 129917290
5-amino-2-(difluoromethyl)-1H-pyridin-4-one
CID 130094648

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one (CID 57347020) is 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one is Nc1c[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is HGRBXDHMWGUDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5-1-4(12)3(10)2-11-5/h1-2H,10H2,(H,11,12).
What are the key properties of 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one?
5-amino-2-(trifluoromethyl)-1H-pyridin-4-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 5-amino-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 57347020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).