2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid

C10H10F3NO4 — CID 82903705

IUPAC2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)6-18-4-3-14-2-1-7(9(16)17)5-8(14)15/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyFAPJFCNRZNVLQZ-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.13
Rot. Bonds5

About 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid

2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid (PubChem CID 82903705) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid
PubChem CID82903705
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCOCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)6-18-4-3-14-2-1-7(9(16)17)5-8(14)15/h1-2,5H,3-4,6H2,(H,16,17)
InChIKeyFAPJFCNRZNVLQZ-UHFFFAOYSA-N
XLogP1.13
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid (CID 82903705) is 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccn(CCOCC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid?
The InChIKey is FAPJFCNRZNVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)6-18-4-3-14-2-1-7(9(16)17)5-8(14)15/h1-2,5H,3-4,6H2,(H,16,17).
What are the key properties of 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid?
2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid has a molecular weight of 265.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82903705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).