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

C10H9ClF4N2O2 — CID 59828235

IUPAC6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C10H9ClF4N2O2/c1-2-16-7(18)5-3-4-6(17-8(5)19)9(12,13)10(11,14)15/h3-4H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyVKXFKWMSULKQEP-UHFFFAOYSA-N
MW300.64 g/mol
LogP2.05
Rot. Bonds4

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

6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828235) has the molecular formula C10H9ClF4N2O2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828235
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(C(F)(F)C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C10H9ClF4N2O2/c1-2-16-7(18)5-3-4-6(17-8(5)19)9(12,13)10(11,14)15/h3-4H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyVKXFKWMSULKQEP-UHFFFAOYSA-N
XLogP2.05
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 52.05
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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Related Compounds

6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
5-Chloro-N,N-diethyl-6-(heptafluoropropyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828240
N-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828241
6-(Heptafluoropropyl)-2-oxo-N-propyl-1,2-dihydropyridine-3-carboxamide
CID 59828242
2-Oxo-N-(2-propynyl)-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828245
N-(1-Methylpropyl)-2-oxo-6-(pentafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828247
6-(1-Chloro-1,2,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828248
6-ethyl-N,5-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 68082881
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84558717
6-(2-Chloro-1,1,2,2-tetrafluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86624095
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 90102279
3-(aminomethyl)-4-methyl-6-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
CID 117679980

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide (CID 59828235) is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide is CCNC(=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)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VKXFKWMSULKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c1-2-16-7(18)5-3-4-6(17-8(5)19)9(12,13)10(11,14)15/h3-4H,2H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide?
6-(2-chloro-1,1,2,2-tetrafluoroethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 300.64 g/mol, XLogP of 2.05, 4 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)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).