5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde

C12H15F3N2O — CID 80638351

IUPAC5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1ncc(C=O)cc1C
InChIInChI=1S/C12H15F3N2O/c1-3-4-17(8-12(13,14)15)11-9(2)5-10(7-18)6-16-11/h5-7H,3-4,8H2,1-2H3
InChIKeyZUNWGXRBUHNJRE-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.98
Rot. Bonds5

About 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde

5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80638351) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
PubChem CID80638351
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1ncc(C=O)cc1C
InChIInChI=1S/C12H15F3N2O/c1-3-4-17(8-12(13,14)15)11-9(2)5-10(7-18)6-16-11/h5-7H,3-4,8H2,1-2H3
InChIKeyZUNWGXRBUHNJRE-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (CID 80638351) is 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is CCCN(CC(F)(F)F)c1ncc(C=O)cc1C.
What is the InChIKey of 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is ZUNWGXRBUHNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-4-17(8-12(13,14)15)11-9(2)5-10(7-18)6-16-11/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 260.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80638351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).