6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde

C12H15BrN2O2 — CID 87354925

IUPAC6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde
SMILESC[C@@H]1CN(c2ccc(Br)nc2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15BrN2O2/c1-8-5-15(6-9(2)17-8)11-3-4-12(13)14-10(11)7-16/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyUZHVADXLGTVKJG-DTORHVGOSA-N
MW299.17 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde

6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde (PubChem CID 87354925) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde
PubChem CID87354925
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde
SMILESC[C@@H]1CN(c2ccc(Br)nc2C=O)C[C@H](C)O1
InChIInChI=1S/C12H15BrN2O2/c1-8-5-15(6-9(2)17-8)11-3-4-12(13)14-10(11)7-16/h3-4,7-9H,5-6H2,1-2H3/t8-,9+
InChIKeyUZHVADXLGTVKJG-DTORHVGOSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde?
The IUPAC name of 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde (CID 87354925) is 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde is C[C@@H]1CN(c2ccc(Br)nc2C=O)C[C@H](C)O1.
What is the InChIKey of 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde?
The InChIKey is UZHVADXLGTVKJG-DTORHVGOSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-5-15(6-9(2)17-8)11-3-4-12(13)14-10(11)7-16/h3-4,7-9H,5-6H2,1-2H3/t8-,9+.
What are the key properties of 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde?
6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde has a molecular weight of 299.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 87354925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).