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

C6H5F3N2O — CID 130103823

IUPAC3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
SMILESNc1c(C(F)F)[nH]cc(F)c1=O
InChIInChI=1S/C6H5F3N2O/c7-2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,10H2,(H,11,12)
InChIKeyJVIOLQLQOLCYCS-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.03
Rot. Bonds1

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

3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one (PubChem CID 130103823) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
PubChem CID130103823
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
SMILESNc1c(C(F)F)[nH]cc(F)c1=O
InChIInChI=1S/C6H5F3N2O/c7-2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,10H2,(H,11,12)
InChIKeyJVIOLQLQOLCYCS-UHFFFAOYSA-N
XLogP1.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130079521
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130909704
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
CID 130100388
5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
CID 130107847
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The IUPAC name of 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one (CID 130103823) is 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one is Nc1c(C(F)F)[nH]cc(F)c1=O.
What is the InChIKey of 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
The InChIKey is JVIOLQLQOLCYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-2-1-11-4(6(8)9)3(10)5(2)12/h1,6H,10H2,(H,11,12).
What are the key properties of 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one?
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one has a molecular weight of 178.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 130103823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).