6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde

C11H13F3N2O — CID 80638531

IUPAC6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)c1ccc(C=O)cn1
InChIInChI=1S/C11H13F3N2O/c1-8(2)16(7-11(12,13)14)10-4-3-9(6-17)5-15-10/h3-6,8H,7H2,1-2H3
InChIKeyLVNXTGNSPIJREX-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.67
Rot. Bonds4

About 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde

6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80638531) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
PubChem CID80638531
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(CC(F)(F)F)c1ccc(C=O)cn1
InChIInChI=1S/C11H13F3N2O/c1-8(2)16(7-11(12,13)14)10-4-3-9(6-17)5-15-10/h3-6,8H,7H2,1-2H3
InChIKeyLVNXTGNSPIJREX-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.67
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 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (CID 80638531) is 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is CC(C)N(CC(F)(F)F)c1ccc(C=O)cn1.
What is the InChIKey of 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is LVNXTGNSPIJREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-8(2)16(7-11(12,13)14)10-4-3-9(6-17)5-15-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 246.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80638531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).