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

C9H9F3N2O — CID 58259070

IUPAC2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCN(C)c1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C9H9F3N2O/c1-14(2)8-6(5-15)3-4-7(13-8)9(10,11)12/h3-5H,1-2H3
InChIKeySXAVIOULHMXKEU-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.98
Rot. Bonds2

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

2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 58259070) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID58259070
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCN(C)c1nc(C(F)(F)F)ccc1C=O
InChIInChI=1S/C9H9F3N2O/c1-14(2)8-6(5-15)3-4-7(13-8)9(10,11)12/h3-5H,1-2H3
InChIKeySXAVIOULHMXKEU-UHFFFAOYSA-N
XLogP1.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.98
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 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 58259070) is 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde is CN(C)c1nc(C(F)(F)F)ccc1C=O.
What is the InChIKey of 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is SXAVIOULHMXKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-14(2)8-6(5-15)3-4-7(13-8)9(10,11)12/h3-5H,1-2H3.
What are the key properties of 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 218.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 58259070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).