2-amino-5-bromobenzaldehyde

C7H6BrNO — CID 23510475

IUPAC2-amino-5-bromobenzaldehyde
SMILESNc1ccc(Br)cc1C=O
InChIInChI=1S/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKeyVBYZWJMZASVGNB-UHFFFAOYSA-N
MW200.04 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-5-bromobenzaldehyde

2-amino-5-bromobenzaldehyde (PubChem CID 23510475) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is 2-amino-5-bromobenzaldehyde.

Molecular Properties

Compound Name2-amino-5-bromobenzaldehyde
PubChem CID23510475
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC Name2-amino-5-bromobenzaldehyde
SMILESNc1ccc(Br)cc1C=O
InChIInChI=1S/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
InChIKeyVBYZWJMZASVGNB-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 51.84
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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Related Compounds

2-Aminobenzaldehyde
CID 68255
5-Bromo-2-nitrobenzaldehyde
CID 97233
2-Amino-3,5-dibromobenzaldehyde
CID 688305
2-Amino-5-bromobenzophenone
CID 99677
ST50264022
CID 776243
(2-Amino-5-bromophenyl)(2-fluorophenyl)methanone
CID 73865
2-Amino-5-bromobenzamide
CID 5019271
1-(2-Amino-5-bromophenyl)propan-1-one
CID 10082478
1-(2-Amino-5-bromophenyl)ethan-1-one
CID 11074746
6-Bromo-3,4-dihydro-1,2,3-benzotriazin-4-one
CID 135469013
2-Amino-3-bromobenzaldehyde
CID 10081484
2-Amino-4-bromobenzamide
CID 13805507

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzaldehyde?
The IUPAC name of 2-amino-5-bromobenzaldehyde (CID 23510475) is 2-amino-5-bromobenzaldehyde.
What is the SMILES notation for 2-amino-5-bromobenzaldehyde?
The canonical SMILES for 2-amino-5-bromobenzaldehyde is Nc1ccc(Br)cc1C=O.
What is the InChIKey of 2-amino-5-bromobenzaldehyde?
The InChIKey is VBYZWJMZASVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2.
What are the key properties of 2-amino-5-bromobenzaldehyde?
2-amino-5-bromobenzaldehyde has a molecular weight of 200.04 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromobenzaldehyde is sourced from PubChem (CID 23510475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).