6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid

C11H12F4N2O3 — CID 122056802

IUPAC6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCOCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H12F4N2O3/c12-10(13)11(14,15)6-20-5-4-16-8-3-1-2-7(17-8)9(18)19/h1-3,10H,4-6H2,(H,16,17)(H,18,19)
InChIKeyKHEALGXADRZARR-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.11
Rot. Bonds8

About 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid

6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid (PubChem CID 122056802) has the molecular formula C11H12F4N2O3 and a molecular weight of 296.22 g/mol. Its IUPAC name is 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid
PubChem CID122056802
Molecular FormulaC11H12F4N2O3
Molecular Weight296.22 g/mol
Exact Mass296.08
IUPAC Name6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCOCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H12F4N2O3/c12-10(13)11(14,15)6-20-5-4-16-8-3-1-2-7(17-8)9(18)19/h1-3,10H,4-6H2,(H,16,17)(H,18,19)
InChIKeyKHEALGXADRZARR-UHFFFAOYSA-N
XLogP2.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid (CID 122056802) is 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCOCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is KHEALGXADRZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O3/c12-10(13)11(14,15)6-20-5-4-16-8-3-1-2-7(17-8)9(18)19/h1-3,10H,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid?
6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 296.22 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122056802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).