6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide

C10H9ClF4N2O2 — CID 174604397

IUPAC6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C(F)(F)C(F)(F)Cl)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H9ClF4N2O2/c1-2-17-6(9(12,13)10(11,14)15)4-3-5(7(16)18)8(17)19/h3-4H,2H2,1H3,(H2,16,18)
InChIKeyGOAGXBPHEXOZKX-UHFFFAOYSA-N
MW300.64 g/mol
LogP1.89
Rot. Bonds4

About 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide

6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide (PubChem CID 174604397) 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)-1-ethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
PubChem CID174604397
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCn1c(C(F)(F)C(F)(F)Cl)ccc(C(N)=O)c1=O
InChIInChI=1S/C10H9ClF4N2O2/c1-2-17-6(9(12,13)10(11,14)15)4-3-5(7(16)18)8(17)19/h3-4H,2H2,1H3,(H2,16,18)
InChIKeyGOAGXBPHEXOZKX-UHFFFAOYSA-N
XLogP1.89
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-ethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide (CID 174604397) is 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide is CCn1c(C(F)(F)C(F)(F)Cl)ccc(C(N)=O)c1=O.
What is the InChIKey of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
The InChIKey is GOAGXBPHEXOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c1-2-17-6(9(12,13)10(11,14)15)4-3-5(7(16)18)8(17)19/h3-4H,2H2,1H3,(H2,16,18).
What are the key properties of 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide?
6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide has a molecular weight of 300.64 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-1,1,2,2-tetrafluoroethyl)-1-ethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 174604397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).