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

C11H13F3N2O2 — CID 115520118

IUPAC6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-2-7-15-9-5-3-4-8(16-9)10(17)18/h3-5H,1-2,6-7H2,(H,15,16)(H,17,18)
InChIKeyCJDIPUSJWJLWNQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.92
Rot. Bonds6

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

6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid (PubChem CID 115520118) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
PubChem CID115520118
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-2-7-15-9-5-3-4-8(16-9)10(17)18/h3-5H,1-2,6-7H2,(H,15,16)(H,17,18)
InChIKeyCJDIPUSJWJLWNQ-UHFFFAOYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid (CID 115520118) is 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid?
The InChIKey is CJDIPUSJWJLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-2-7-15-9-5-3-4-8(16-9)10(17)18/h3-5H,1-2,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid?
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.92, 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-trifluoropentylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115520118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).