2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H17F3N2O2 — CID 79877094

IUPAC2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCC(C)C(C)Nc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-4-7(2)8(3)17-11-9(12(19)20)5-6-10(18-11)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQAMNSQYSVIYLOD-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79877094) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79877094
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCC(C)C(C)Nc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-4-7(2)8(3)17-11-9(12(19)20)5-6-10(18-11)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyQAMNSQYSVIYLOD-UHFFFAOYSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79877094) is 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCC(C)C(C)Nc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is QAMNSQYSVIYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-7(2)8(3)17-11-9(12(19)20)5-6-10(18-11)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79877094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).