5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde

C12H14BrNO2 — CID 89141403

IUPAC5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde
SMILESC[C@@H]1CN(c2ccc(Br)cc2C=O)CCO1
InChIInChI=1S/C12H14BrNO2/c1-9-7-14(4-5-16-9)12-3-2-11(13)6-10(12)8-15/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyIOHJGRFFOLDNAB-SECBINFHSA-N
MW284.15 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde

5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde (PubChem CID 89141403) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde
PubChem CID89141403
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde
SMILESC[C@@H]1CN(c2ccc(Br)cc2C=O)CCO1
InChIInChI=1S/C12H14BrNO2/c1-9-7-14(4-5-16-9)12-3-2-11(13)6-10(12)8-15/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyIOHJGRFFOLDNAB-SECBINFHSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.49
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 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde?
The IUPAC name of 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde (CID 89141403) is 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde?
The canonical SMILES for 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde is C[C@@H]1CN(c2ccc(Br)cc2C=O)CCO1.
What is the InChIKey of 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde?
The InChIKey is IOHJGRFFOLDNAB-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-9-7-14(4-5-16-9)12-3-2-11(13)6-10(12)8-15/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde?
5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde has a molecular weight of 284.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2R)-2-methylmorpholin-4-yl]benzaldehyde is sourced from PubChem (CID 89141403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).