3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

C12H13F3N2O3 — CID 169126076

IUPAC3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESC=CCC(C)Oc1nc(C(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-3-4-6(2)20-10-7(12(13,14)15)5-8(16)9(17-10)11(18)19/h3,5-6H,1,4,16H2,2H3,(H,18,19)
InChIKeyPYGPYIIOOKUOHL-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.72
Rot. Bonds5

About 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 169126076) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID169126076
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESC=CCC(C)Oc1nc(C(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-3-4-6(2)20-10-7(12(13,14)15)5-8(16)9(17-10)11(18)19/h3,5-6H,1,4,16H2,2H3,(H,18,19)
InChIKeyPYGPYIIOOKUOHL-UHFFFAOYSA-N
XLogP2.72
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 169126076) is 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is C=CCC(C)Oc1nc(C(=O)O)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is PYGPYIIOOKUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-3-4-6(2)20-10-7(12(13,14)15)5-8(16)9(17-10)11(18)19/h3,5-6H,1,4,16H2,2H3,(H,18,19).
What are the key properties of 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 290.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pent-4-en-2-yloxy-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).