2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile

C8H3F5N2O — CID 171665702

IUPAC2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C8H3F5N2O/c9-7(10,8(11,12)13)5-1-2-15-6(16)4(5)3-14/h1-2H,(H,15,16)
InChIKeyZSLKUQJSWFOLKD-UHFFFAOYSA-N
MW238.11 g/mol
LogP1.90
Rot. Bonds1

About 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile

2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile (PubChem CID 171665702) has the molecular formula C8H3F5N2O and a molecular weight of 238.11 g/mol. Its IUPAC name is 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile
PubChem CID171665702
Molecular FormulaC8H3F5N2O
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)C(F)(F)F)cc[nH]c1=O
InChIInChI=1S/C8H3F5N2O/c9-7(10,8(11,12)13)5-1-2-15-6(16)4(5)3-14/h1-2H,(H,15,16)
InChIKeyZSLKUQJSWFOLKD-UHFFFAOYSA-N
XLogP1.90
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile (CID 171665702) is 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)C(F)(F)F)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is ZSLKUQJSWFOLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-7(10,8(11,12)13)5-1-2-15-6(16)4(5)3-14/h1-2H,(H,15,16).
What are the key properties of 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile?
2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 238.11 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 171665702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).