2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide

C8H5F5N2O2 — CID 59828238

IUPAC2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5F5N2O2/c9-7(10,8(11,12)13)4-2-1-3(5(14)16)6(17)15-4/h1-2H,(H2,14,16)(H,15,17)
InChIKeyPYKQPFYWFBPGSY-UHFFFAOYSA-N
MW256.13 g/mol
LogP1.13
Rot. Bonds2

About 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide

2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 59828238) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID59828238
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5F5N2O2/c9-7(10,8(11,12)13)4-2-1-3(5(14)16)6(17)15-4/h1-2H,(H2,14,16)(H,15,17)
InChIKeyPYKQPFYWFBPGSY-UHFFFAOYSA-N
XLogP1.13
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2775114
CID 2775114
CID 14043510
CID 14043510
CID 11065630
CID 11065630
CID 14043512
CID 14043512
CID 59828229
CID 59828229
CID 59828232
CID 59828232
CID 59828241
CID 59828241
CID 59828242
CID 59828242
CID 59828245
CID 59828245
CID 59828247
CID 59828247
CID 59828248
CID 59828248
CID 71433049
CID 71433049

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide (CID 59828238) is 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PYKQPFYWFBPGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c9-7(10,8(11,12)13)4-2-1-3(5(14)16)6(17)15-4/h1-2H,(H2,14,16)(H,15,17).
What are the key properties of 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide?
2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 256.13 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).