2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C11H11F3N2O2 — CID 11299934

IUPAC2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-2-1-8(7-17)10(15-9)16-3-5-18-6-4-16/h1-2,7H,3-6H2
InChIKeyKXLCWRVOIHGGDT-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.75
Rot. Bonds2

About 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 11299934) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID11299934
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-2-1-8(7-17)10(15-9)16-3-5-18-6-4-16/h1-2,7H,3-6H2
InChIKeyKXLCWRVOIHGGDT-UHFFFAOYSA-N
XLogP1.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 11299934) is 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is KXLCWRVOIHGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)9-2-1-8(7-17)10(15-9)16-3-5-18-6-4-16/h1-2,7H,3-6H2.
What are the key properties of 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 260.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 11299934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).