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

C7H3F3N2O2 — CID 130091819

IUPAC6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-1-4(2-11)3-12-6(5)13/h1,3H,(H,12,13)
InChIKeyXAOAHSQGXUNHCY-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.15
Rot. Bonds1

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

6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (PubChem CID 130091819) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
PubChem CID130091819
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(=O)c(OC(F)(F)F)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-1-4(2-11)3-12-6(5)13/h1,3H,(H,12,13)
InChIKeyXAOAHSQGXUNHCY-UHFFFAOYSA-N
XLogP1.15
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile (CID 130091819) is 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(=O)c(OC(F)(F)F)c1.
What is the InChIKey of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
The InChIKey is XAOAHSQGXUNHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)14-5-1-4(2-11)3-12-6(5)13/h1,3H,(H,12,13).
What are the key properties of 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile?
6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile has a molecular weight of 204.11 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130091819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).