(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde

C9H10BrN3O2 — CID 175739184

IUPAC(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(Br)nn1
InChIInChI=1S/C9H10BrN3O2/c10-9-2-1-7(11-12-9)8-5-15-4-3-13(8)6-14/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyVDLJOGJCFYDVMO-MRVPVSSYSA-N
MW272.10 g/mol
LogP0.77
Rot. Bonds2

About (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde

(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde (PubChem CID 175739184) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde
PubChem CID175739184
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(Br)nn1
InChIInChI=1S/C9H10BrN3O2/c10-9-2-1-7(11-12-9)8-5-15-4-3-13(8)6-14/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyVDLJOGJCFYDVMO-MRVPVSSYSA-N
XLogP0.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.77
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-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
CID 175509109
(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
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
3-(4,9-dimethoxyfuro[3,2-g]quinolin-2-yl)morpholine-4-carbaldehyde
CID 126503615
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
CID 174720095
3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde
CID 87854794
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
CID 168940768

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde?
The IUPAC name of (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde (CID 175739184) is (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde.
What is the SMILES notation for (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde?
The canonical SMILES for (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde is O=CN1CCOC[C@@H]1c1ccc(Br)nn1.
What is the InChIKey of (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde?
The InChIKey is VDLJOGJCFYDVMO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-9-2-1-7(11-12-9)8-5-15-4-3-13(8)6-14/h1-2,6,8H,3-5H2/t8-/m1/s1.
What are the key properties of (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde?
(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde has a molecular weight of 272.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde is sourced from PubChem (CID 175739184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).