2-amino-3,6-dibromobenzaldehyde

C7H5Br2NO — CID 89350940

IUPAC2-amino-3,6-dibromobenzaldehyde
SMILESNc1c(Br)ccc(Br)c1C=O
InChIInChI=1S/C7H5Br2NO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,10H2
InChIKeyVSFBCSXZTHQRMU-UHFFFAOYSA-N
MW278.93 g/mol
LogP2.61
Rot. Bonds1

About 2-amino-3,6-dibromobenzaldehyde

2-amino-3,6-dibromobenzaldehyde (PubChem CID 89350940) has the molecular formula C7H5Br2NO and a molecular weight of 278.93 g/mol. Its IUPAC name is 2-amino-3,6-dibromobenzaldehyde.

Molecular Properties

Compound Name2-amino-3,6-dibromobenzaldehyde
PubChem CID89350940
Molecular FormulaC7H5Br2NO
Molecular Weight278.93 g/mol
Exact Mass276.87
IUPAC Name2-amino-3,6-dibromobenzaldehyde
SMILESNc1c(Br)ccc(Br)c1C=O
InChIInChI=1S/C7H5Br2NO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,10H2
InChIKeyVSFBCSXZTHQRMU-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.93
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dibromobenzaldehyde?
The IUPAC name of 2-amino-3,6-dibromobenzaldehyde (CID 89350940) is 2-amino-3,6-dibromobenzaldehyde.
What is the SMILES notation for 2-amino-3,6-dibromobenzaldehyde?
The canonical SMILES for 2-amino-3,6-dibromobenzaldehyde is Nc1c(Br)ccc(Br)c1C=O.
What is the InChIKey of 2-amino-3,6-dibromobenzaldehyde?
The InChIKey is VSFBCSXZTHQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,10H2.
What are the key properties of 2-amino-3,6-dibromobenzaldehyde?
2-amino-3,6-dibromobenzaldehyde has a molecular weight of 278.93 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dibromobenzaldehyde is sourced from PubChem (CID 89350940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).