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

C9H9Br2NO — CID 53315560

IUPAC3,5-dibromo-4-(dimethylamino)benzaldehyde
SMILESCN(C)c1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C9H9Br2NO/c1-12(2)9-7(10)3-6(5-13)4-8(9)11/h3-5H,1-2H3
InChIKeyCEFWVWKKQYHSAV-UHFFFAOYSA-N
MW306.99 g/mol
LogP3.09
Rot. Bonds2

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

3,5-dibromo-4-(dimethylamino)benzaldehyde (PubChem CID 53315560) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is 3,5-dibromo-4-(dimethylamino)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(dimethylamino)benzaldehyde
PubChem CID53315560
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name3,5-dibromo-4-(dimethylamino)benzaldehyde
SMILESCN(C)c1c(Br)cc(C=O)cc1Br
InChIInChI=1S/C9H9Br2NO/c1-12(2)9-7(10)3-6(5-13)4-8(9)11/h3-5H,1-2H3
InChIKeyCEFWVWKKQYHSAV-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 4769245
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CID 11323541
CID 11323541
CID 17606014
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CID 23506020
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CID 46173679
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CID 68536272
CID 68536272
CID 171084229
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CID 289670
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CID 129697969
CID 129697969

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(dimethylamino)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(dimethylamino)benzaldehyde (CID 53315560) is 3,5-dibromo-4-(dimethylamino)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(dimethylamino)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(dimethylamino)benzaldehyde is CN(C)c1c(Br)cc(C=O)cc1Br.
What is the InChIKey of 3,5-dibromo-4-(dimethylamino)benzaldehyde?
The InChIKey is CEFWVWKKQYHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-12(2)9-7(10)3-6(5-13)4-8(9)11/h3-5H,1-2H3.
What are the key properties of 3,5-dibromo-4-(dimethylamino)benzaldehyde?
3,5-dibromo-4-(dimethylamino)benzaldehyde has a molecular weight of 306.99 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(dimethylamino)benzaldehyde is sourced from PubChem (CID 53315560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).