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

C9H8F3NO4 — CID 82897351

IUPAC2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCOC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)17-4-3-13-2-1-6(8(15)16)5-7(13)14/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQOOIZTXHGSNZKE-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.08
Rot. Bonds4

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

2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid (PubChem CID 82897351) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid
PubChem CID82897351
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCOC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)17-4-3-13-2-1-6(8(15)16)5-7(13)14/h1-2,5H,3-4H2,(H,15,16)
InChIKeyQOOIZTXHGSNZKE-UHFFFAOYSA-N
XLogP1.08
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid (CID 82897351) is 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccn(CCOC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid?
The InChIKey is QOOIZTXHGSNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c10-9(11,12)17-4-3-13-2-1-6(8(15)16)5-7(13)14/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid?
2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid has a molecular weight of 251.16 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82897351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).