(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde

C10H10F3N3O2 — CID 175509109

IUPAC(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyDWBQNCHAVFEBFI-MRVPVSSYSA-N
MW261.20 g/mol
LogP1.03
Rot. Bonds2

About (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde

(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde (PubChem CID 175509109) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
PubChem CID175509109
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyDWBQNCHAVFEBFI-MRVPVSSYSA-N
XLogP1.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde
CID 175739184
N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
CID 83105734
(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde
CID 175509162
3-[4-(5-amino-3-tert-butylpyrazol-1-yl)phenyl]morpholine-4-carbaldehyde
CID 86625826
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
CID 133419303
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 136589589
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
3-[2-fluoro-5-(2-fluoroethoxy)-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carbaldehyde
CID 150060228
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde
CID 169206925

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The IUPAC name of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde (CID 175509109) is (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde.
What is the SMILES notation for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The canonical SMILES for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde is O=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1.
What is the InChIKey of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The InChIKey is DWBQNCHAVFEBFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1.
What are the key properties of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde has a molecular weight of 261.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde is sourced from PubChem (CID 175509109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).