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

C8H5ClF4N2O2 — CID 59828248

IUPAC6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(Cl)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5ClF4N2O2/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)
InChIKeyYJZBWFGEGUQPPA-UHFFFAOYSA-N
MW272.59 g/mol
LogP1.40
Rot. Bonds2

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

6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828248) has the molecular formula C8H5ClF4N2O2 and a molecular weight of 272.59 g/mol. Its IUPAC name is 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828248
Molecular FormulaC8H5ClF4N2O2
Molecular Weight272.59 g/mol
Exact Mass272.00
IUPAC Name6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(Cl)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H5ClF4N2O2/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)
InChIKeyYJZBWFGEGUQPPA-UHFFFAOYSA-N
XLogP1.40
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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'}

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Related Compounds

CID 11065630
CID 11065630
CID 14043512
CID 14043512
CID 22113414
CID 22113414
CID 59828232
CID 59828232
CID 59828234
CID 59828234
CID 59828235
CID 59828235
CID 59828238
CID 59828238
CID 59828241
CID 59828241
CID 77231446
CID 77231446
CID 86624095
CID 86624095
CID 86756193
CID 86756193
CID 89690179
CID 89690179

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 59828248) is 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(Cl)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YJZBWFGEGUQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4N2O2/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 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide?
6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 272.59 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).