2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C10H11F3N2O2 — CID 79876958

IUPAC2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-2-5-14-8-6(9(16)17)3-4-7(15-8)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPPAQJLIKJUYLZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.62
Rot. Bonds4

About 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876958) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876958
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-2-5-14-8-6(9(16)17)3-4-7(15-8)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyUPPAQJLIKJUYLZ-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876958) is 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCCNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is UPPAQJLIKJUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-5-14-8-6(9(16)17)3-4-7(15-8)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).