5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid

C10H11F3N2O3 — CID 115490932

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-7-1-2-8(9(16)17)15-5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeySNWYNPIGXBFNQK-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.77
Rot. Bonds6

About 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid

5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid (PubChem CID 115490932) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
PubChem CID115490932
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-7-1-2-8(9(16)17)15-5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeySNWYNPIGXBFNQK-UHFFFAOYSA-N
XLogP1.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 114404148
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid (CID 115490932) is 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCCOCC(F)(F)F)cn1.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is SNWYNPIGXBFNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)6-18-4-3-14-7-1-2-8(9(16)17)15-5-7/h1-2,5,14H,3-4,6H2,(H,16,17).
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid?
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).