3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

C7H4F3N3O2 — CID 131399939

IUPAC3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)[nH]c(=O)c1N
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,12H2,(H,13,14)
InChIKeyRAIFYQGHHZVSBN-UHFFFAOYSA-N
MW219.12 g/mol
LogP0.73
Rot. Bonds1

About 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 131399939) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID131399939
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)[nH]c(=O)c1N
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,12H2,(H,13,14)
InChIKeyRAIFYQGHHZVSBN-UHFFFAOYSA-N
XLogP0.73
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 131399939) is 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1cc(OC(F)(F)F)[nH]c(=O)c1N.
What is the InChIKey of 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is RAIFYQGHHZVSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-1-3(2-11)5(12)6(14)13-4/h1H,12H2,(H,13,14).
What are the key properties of 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile has a molecular weight of 219.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-6-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 131399939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).