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

C8H5ClF4N2O2 — CID 86624095

IUPAC6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C8H5ClF4N2O2/c9-8(12,13)7(10,11)4-2-1-3(5(14)16)6(17)15-4/h1-2H,(H2,14,16)(H,15,17)
InChIKeyQPRZIANVSJCXFL-UHFFFAOYSA-N
MW272.59 g/mol
LogP1.40
Rot. Bonds3

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

6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86624095) has the molecular formula C8H5ClF4N2O2 and a molecular weight of 272.59 g/mol. Its IUPAC name is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86624095
Molecular FormulaC8H5ClF4N2O2
Molecular Weight272.59 g/mol
Exact Mass272.00
IUPAC Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C8H5ClF4N2O2/c9-8(12,13)7(10,11)4-2-1-3(5(14)16)6(17)15-4/h1-2H,(H2,14,16)(H,15,17)
InChIKeyQPRZIANVSJCXFL-UHFFFAOYSA-N
XLogP1.40
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.59
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 86624095) is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QPRZIANVSJCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4N2O2/c9-8(12,13)7(10,11)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 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 272.59 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86624095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).