5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde

C11H10BrNO — CID 23091127

IUPAC5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde
SMILESO=Cc1cc(Br)ccc1N1CC=CC1
InChIInChI=1S/C11H10BrNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-4,7-8H,5-6H2
InChIKeyVFDUPHVXMJXYSH-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde

5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde (PubChem CID 23091127) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde
PubChem CID23091127
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde
SMILESO=Cc1cc(Br)ccc1N1CC=CC1
InChIInChI=1S/C11H10BrNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-4,7-8H,5-6H2
InChIKeyVFDUPHVXMJXYSH-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde?
The IUPAC name of 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde (CID 23091127) is 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde?
The canonical SMILES for 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde is O=Cc1cc(Br)ccc1N1CC=CC1.
What is the InChIKey of 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde?
The InChIKey is VFDUPHVXMJXYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde?
5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde has a molecular weight of 252.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dihydropyrrol-1-yl)benzaldehyde is sourced from PubChem (CID 23091127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).