3,5-dibromo-4-(methylamino)benzaldehyde

C8H7Br2NO — CID 46173679

IUPAC3,5-dibromo-4-(methylamino)benzaldehyde
SMILESCNc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C8H7Br2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3
InChIKeyUMWXHXHPXWPSQT-UHFFFAOYSA-N
MW292.96 g/mol
LogP3.07
Rot. Bonds2

About 3,5-dibromo-4-(methylamino)benzaldehyde

3,5-dibromo-4-(methylamino)benzaldehyde (PubChem CID 46173679) has the molecular formula C8H7Br2NO and a molecular weight of 292.96 g/mol. Its IUPAC name is 3,5-dibromo-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(methylamino)benzaldehyde
PubChem CID46173679
Molecular FormulaC8H7Br2NO
Molecular Weight292.96 g/mol
Exact Mass290.89
IUPAC Name3,5-dibromo-4-(methylamino)benzaldehyde
SMILESCNc1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C8H7Br2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3
InChIKeyUMWXHXHPXWPSQT-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.96
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(methylamino)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(methylamino)benzaldehyde (CID 46173679) is 3,5-dibromo-4-(methylamino)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(methylamino)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(methylamino)benzaldehyde is CNc1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(methylamino)benzaldehyde?
The InChIKey is UMWXHXHPXWPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO/c1-11-8-6(9)2-5(4-12)3-7(8)10/h2-4,11H,1H3.
What are the key properties of 3,5-dibromo-4-(methylamino)benzaldehyde?
3,5-dibromo-4-(methylamino)benzaldehyde has a molecular weight of 292.96 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(methylamino)benzaldehyde is sourced from PubChem (CID 46173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).