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

C6H4F4N2O2 — CID 130909704

IUPAC3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNc1c(OC(F)(F)F)[nH]cc(F)c1=O
InChIInChI=1S/C6H4F4N2O2/c7-2-1-12-5(3(11)4(2)13)14-6(8,9)10/h1H,11H2,(H,12,13)
InChIKeyDDXUPHLIABJZQQ-UHFFFAOYSA-N
MW212.10 g/mol
LogP0.99
Rot. Bonds1

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

3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130909704) has the molecular formula C6H4F4N2O2 and a molecular weight of 212.10 g/mol. Its IUPAC name is 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130909704
Molecular FormulaC6H4F4N2O2
Molecular Weight212.10 g/mol
Exact Mass212.02
IUPAC Name3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNc1c(OC(F)(F)F)[nH]cc(F)c1=O
InChIInChI=1S/C6H4F4N2O2/c7-2-1-12-5(3(11)4(2)13)14-6(8,9)10/h1H,11H2,(H,12,13)
InChIKeyDDXUPHLIABJZQQ-UHFFFAOYSA-N
XLogP0.99
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134680234
5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134677290
5-(aminomethyl)-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134665484
5-(chloromethyl)-3-iodo-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111278
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one
CID 163251751
3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
CID 166517675
3-(hydroxymethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 118816283
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
3-amino-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089031
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one (CID 130909704) is 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one is Nc1c(OC(F)(F)F)[nH]cc(F)c1=O.
What is the InChIKey of 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is DDXUPHLIABJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O2/c7-2-1-12-5(3(11)4(2)13)14-6(8,9)10/h1H,11H2,(H,12,13).
What are the key properties of 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one?
3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 212.10 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130909704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).