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

C11H13F3N2O — CID 80638350

IUPAC6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1ccc(C=O)cn1
InChIInChI=1S/C11H13F3N2O/c1-2-5-16(8-11(12,13)14)10-4-3-9(7-17)6-15-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeySVWFGMNHHCQTOA-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.67
Rot. Bonds5

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

6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80638350) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
PubChem CID80638350
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1ccc(C=O)cn1
InChIInChI=1S/C11H13F3N2O/c1-2-5-16(8-11(12,13)14)10-4-3-9(7-17)6-15-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeySVWFGMNHHCQTOA-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

6-Aminonicotinamide
CID 9500
2-Fluoro-5-formylpyridine
CID 16414246
BI-RJ 70
CID 72347
2,5-Dimethyl-1-(4-methylpyridin-2-YL)-1H-pyrrole-3-carbaldehyde
CID 885302
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
2-Aminopyridine-3-carboxamide
CID 506623
6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
6-Morpholinonicotinamide
CID 260349
8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one
CID 1472978
2-Propylamino-nicotinamide
CID 651580
6-(Methylamino)nicotinamide
CID 3031421
2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 136127010

Frequently Asked Questions

What is the IUPAC name of 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde (CID 80638350) is 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is CCCN(CC(F)(F)F)c1ccc(C=O)cn1.
What is the InChIKey of 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is SVWFGMNHHCQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-5-16(8-11(12,13)14)10-4-3-9(7-17)6-15-10/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde?
6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 246.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80638350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).