5-amino-2-bromobenzaldehyde

C7H6BrNO — CID 82397542

IUPAC5-amino-2-bromobenzaldehyde
SMILESNc1ccc(Br)c(C=O)c1
InChIInChI=1S/C7H6BrNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2
InChIKeyQTEHOADNTBMPDY-UHFFFAOYSA-N
MW200.04 g/mol
LogP1.84
Rot. Bonds1

About 5-amino-2-bromobenzaldehyde

5-amino-2-bromobenzaldehyde (PubChem CID 82397542) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is 5-amino-2-bromobenzaldehyde.

Molecular Properties

Compound Name5-amino-2-bromobenzaldehyde
PubChem CID82397542
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC Name5-amino-2-bromobenzaldehyde
SMILESNc1ccc(Br)c(C=O)c1
InChIInChI=1S/C7H6BrNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2
InChIKeyQTEHOADNTBMPDY-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'}

Analyze 5-amino-2-bromobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(difluoromethoxy)benzaldehyde
CID 143711565
5-amino-2-bromophenol
CID 10130284
2-(4-bromo-3-formylphenoxy)propanamide
CID 81494404
5-(2-amino-6-chloropyrimidin-4-yl)oxy-2-bromobenzaldehyde
CID 133384803
2-bromo-5-(2-bromopropanoyl)benzaldehyde
CID 130894877
5-amino-2-bromo-3-(trifluoromethoxy)benzaldehyde
CID 131287439
2-bromo-5-(1-fluoroethoxy)benzaldehyde
CID 177207164
4-amino-2-[(E)-2-pyridin-4-ylethenyl]benzaldehyde
CID 166126887
5-amino-3-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287437
4-bromo-3-[(2,2-difluoroethylamino)methyl]aniline
CID 115407534
4-bromo-3-[2-(dimethylamino)ethyl]aniline
CID 70451093
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromobenzaldehyde?
The IUPAC name of 5-amino-2-bromobenzaldehyde (CID 82397542) is 5-amino-2-bromobenzaldehyde.
What is the SMILES notation for 5-amino-2-bromobenzaldehyde?
The canonical SMILES for 5-amino-2-bromobenzaldehyde is Nc1ccc(Br)c(C=O)c1.
What is the InChIKey of 5-amino-2-bromobenzaldehyde?
The InChIKey is QTEHOADNTBMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2.
What are the key properties of 5-amino-2-bromobenzaldehyde?
5-amino-2-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 5-amino-2-bromobenzaldehyde is sourced from PubChem (CID 82397542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).