6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid

C12H13F3N2O3 — CID 115521722

IUPAC6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCCCC(F)(F)F)n1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-1-2-7-16-10(18)8-4-3-5-9(17-8)11(19)20/h3-5H,1-2,6-7H2,(H,16,18)(H,19,20)
InChIKeyOISYMFYAPQVRLP-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.24
Rot. Bonds6

About 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid

6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 115521722) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID115521722
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCCCC(F)(F)F)n1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)6-1-2-7-16-10(18)8-4-3-5-9(17-8)11(19)20/h3-5H,1-2,6-7H2,(H,16,18)(H,19,20)
InChIKeyOISYMFYAPQVRLP-UHFFFAOYSA-N
XLogP2.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122

Frequently Asked Questions

What is the IUPAC name of 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid (CID 115521722) is 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is OISYMFYAPQVRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)6-1-2-7-16-10(18)8-4-3-5-9(17-8)11(19)20/h3-5H,1-2,6-7H2,(H,16,18)(H,19,20).
What are the key properties of 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid?
6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115521722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).