6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide

C10H11F3N2O3 — CID 60730454

IUPAC6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-9(17)7-1-2-8(16)15-5-7/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyXBPSDNBWXJQSNZ-UHFFFAOYSA-N
MW264.20 g/mol
LogP0.68
Rot. Bonds5

About 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 60730454) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
PubChem CID60730454
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-9(17)7-1-2-8(16)15-5-7/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyXBPSDNBWXJQSNZ-UHFFFAOYSA-N
XLogP0.68
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide (CID 60730454) is 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCOCC(F)(F)F)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is XBPSDNBWXJQSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-9(17)7-1-2-8(16)15-5-7/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16).
What are the key properties of 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60730454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).