3-bromo-2-morpholin-4-ylbenzaldehyde

C11H12BrNO2 — CID 22728249

IUPAC3-bromo-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cccc(Br)c1N1CCOCC1
InChIInChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-14)11(10)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyNHHJMNGAMMJCOG-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.10
Rot. Bonds2

About 3-bromo-2-morpholin-4-ylbenzaldehyde

3-bromo-2-morpholin-4-ylbenzaldehyde (PubChem CID 22728249) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-2-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-morpholin-4-ylbenzaldehyde
PubChem CID22728249
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-bromo-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cccc(Br)c1N1CCOCC1
InChIInChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-14)11(10)13-4-6-15-7-5-13/h1-3,8H,4-7H2
InChIKeyNHHJMNGAMMJCOG-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-morpholin-4-ylbenzaldehyde?
The IUPAC name of 3-bromo-2-morpholin-4-ylbenzaldehyde (CID 22728249) is 3-bromo-2-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 3-bromo-2-morpholin-4-ylbenzaldehyde is O=Cc1cccc(Br)c1N1CCOCC1.
What is the InChIKey of 3-bromo-2-morpholin-4-ylbenzaldehyde?
The InChIKey is NHHJMNGAMMJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-14)11(10)13-4-6-15-7-5-13/h1-3,8H,4-7H2.
What are the key properties of 3-bromo-2-morpholin-4-ylbenzaldehyde?
3-bromo-2-morpholin-4-ylbenzaldehyde has a molecular weight of 270.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 22728249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).