2-amino-3-bromobenzaldehyde

C7H6BrNO — CID 10081484

IUPAC2-amino-3-bromobenzaldehyde
SMILESNc1c(Br)cccc1C=O
InChIInChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKeyWLBVFJUXKRSWJC-UHFFFAOYSA-N
MW200.04 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-3-bromobenzaldehyde

2-amino-3-bromobenzaldehyde (PubChem CID 10081484) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is 2-amino-3-bromobenzaldehyde.

Molecular Properties

Compound Name2-amino-3-bromobenzaldehyde
PubChem CID10081484
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC Name2-amino-3-bromobenzaldehyde
SMILESNc1c(Br)cccc1C=O
InChIInChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKeyWLBVFJUXKRSWJC-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromobenzaldehyde?
The IUPAC name of 2-amino-3-bromobenzaldehyde (CID 10081484) is 2-amino-3-bromobenzaldehyde.
What is the SMILES notation for 2-amino-3-bromobenzaldehyde?
The canonical SMILES for 2-amino-3-bromobenzaldehyde is Nc1c(Br)cccc1C=O.
What is the InChIKey of 2-amino-3-bromobenzaldehyde?
The InChIKey is WLBVFJUXKRSWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2.
What are the key properties of 2-amino-3-bromobenzaldehyde?
2-amino-3-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-3-bromobenzaldehyde is sourced from PubChem (CID 10081484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).