6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid

C11H11F3N2O4 — CID 61317563

IUPAC6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
SMILESO=C(CCOCC(F)(F)F)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-3-9(17)16-8-2-1-7(5-15-8)10(18)19/h1-2,5H,3-4,6H2,(H,18,19)(H,15,16,17)
InChIKeyRMKSJDNKKKBQIB-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.69
Rot. Bonds6

About 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid

6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid (PubChem CID 61317563) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
PubChem CID61317563
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
SMILESO=C(CCOCC(F)(F)F)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-3-9(17)16-8-2-1-7(5-15-8)10(18)19/h1-2,5H,3-4,6H2,(H,18,19)(H,15,16,17)
InChIKeyRMKSJDNKKKBQIB-UHFFFAOYSA-N
XLogP1.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
CID 63650013
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
6-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridine-3-carboxylic acid
CID 61491369
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412
N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
6-[[2-(2-methoxyethylsulfanyl)acetyl]amino]pyridine-3-carboxylic acid
CID 61320229
6-[[2-(4-methylphenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 61319402

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid (CID 61317563) is 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid is O=C(CCOCC(F)(F)F)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is RMKSJDNKKKBQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-3-9(17)16-8-2-1-7(5-15-8)10(18)19/h1-2,5H,3-4,6H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid?
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 292.21 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61317563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).