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

C8H4BrClF4N2O2 — CID 59828232

IUPAC5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C8H4BrClF4N2O2/c9-3-1-2(5(15)17)6(18)16-4(3)7(11,12)8(10,13)14/h1H,(H2,15,17)(H,16,18)
InChIKeyDCFJNMIJEGPDFM-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828232) has the molecular formula C8H4BrClF4N2O2 and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828232
Molecular FormulaC8H4BrClF4N2O2
Molecular Weight351.48 g/mol
Exact Mass349.91
IUPAC Name5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C8H4BrClF4N2O2/c9-3-1-2(5(15)17)6(18)16-4(3)7(11,12)8(10,13)14/h1H,(H2,15,17)(H,16,18)
InChIKeyDCFJNMIJEGPDFM-UHFFFAOYSA-N
XLogP2.16
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.16
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 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 59828232) is 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1cc(Br)c(C(F)(F)C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DCFJNMIJEGPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF4N2O2/c9-3-1-2(5(15)17)6(18)16-4(3)7(11,12)8(10,13)14/h1H,(H2,15,17)(H,16,18).
What are the key properties of 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).