4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

C7H4F3N3O2 — CID 118817518

IUPAC4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(12)3(1-11)2-13-6(5)14/h2H,(H3,12,13,14)
InChIKeyOIZKWCCZKFXBAP-UHFFFAOYSA-N
MW219.12 g/mol
LogP0.73
Rot. Bonds1

About 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile

4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (PubChem CID 118817518) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
PubChem CID118817518
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(12)3(1-11)2-13-6(5)14/h2H,(H3,12,13,14)
InChIKeyOIZKWCCZKFXBAP-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 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (CID 118817518) is 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(OC(F)(F)F)c1N.
What is the InChIKey of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The InChIKey is OIZKWCCZKFXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-5-4(12)3(1-11)2-13-6(5)14/h2H,(H3,12,13,14).
What are the key properties of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-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 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118817518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).