2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde

C11H13F3N2O — CID 87572904

IUPAC2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCCN(CC)c1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C11H13F3N2O/c1-3-16(4-2)10-8(7-17)5-6-9(15-10)11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyISCKQAKAQVHCRY-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.76
Rot. Bonds4

About 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 87572904) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID87572904
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCCN(CC)c1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C11H13F3N2O/c1-3-16(4-2)10-8(7-17)5-6-9(15-10)11(12,13)14/h5-7H,3-4H2,1-2H3
InChIKeyISCKQAKAQVHCRY-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 87572904) is 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde is CCN(CC)c1nc(C(F)(F)F)ccc1C=O.
What is the InChIKey of 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is ISCKQAKAQVHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-3-16(4-2)10-8(7-17)5-6-9(15-10)11(12,13)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 246.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 87572904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).