2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide

C11H8F4N2O2 — CID 59828245

IUPAC2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(C(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C11H8F4N2O2/c1-2-5-16-8(18)6-3-4-7(17-9(6)19)11(14,15)10(12)13/h1,3-4,10H,5H2,(H,16,18)(H,17,19)
InChIKeyQHZBYFHOXPOCSM-UHFFFAOYSA-N
MW276.19 g/mol
LogP1.09
Rot. Bonds4

About 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide

2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 59828245) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID59828245
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(C(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C11H8F4N2O2/c1-2-5-16-8(18)6-3-4-7(17-9(6)19)11(14,15)10(12)13/h1,3-4,10H,5H2,(H,16,18)(H,17,19)
InChIKeyQHZBYFHOXPOCSM-UHFFFAOYSA-N
XLogP1.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide (CID 59828245) is 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide is C#CCNC(=O)c1ccc(C(F)(F)C(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QHZBYFHOXPOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c1-2-5-16-8(18)6-3-4-7(17-9(6)19)11(14,15)10(12)13/h1,3-4,10H,5H2,(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-prop-2-ynyl-6-(1,1,2,2-tetrafluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).