2-bromo-3-chloro-6-fluoroaniline

C6H4BrClFN — CID 106701544

IUPAC2-bromo-3-chloro-6-fluoroaniline
SMILESNc1c(F)ccc(Cl)c1Br
InChIInChI=1S/C6H4BrClFN/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,10H2
InChIKeyZLKOKBHTDCXTHF-UHFFFAOYSA-N
MW224.46 g/mol
LogP2.82
Rot. Bonds

About 2-bromo-3-chloro-6-fluoroaniline

2-bromo-3-chloro-6-fluoroaniline (PubChem CID 106701544) has the molecular formula C6H4BrClFN and a molecular weight of 224.46 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-fluoroaniline.

Molecular Properties

Compound Name2-bromo-3-chloro-6-fluoroaniline
PubChem CID106701544
Molecular FormulaC6H4BrClFN
Molecular Weight224.46 g/mol
Exact Mass222.92
IUPAC Name2-bromo-3-chloro-6-fluoroaniline
SMILESNc1c(F)ccc(Cl)c1Br
InChIInChI=1S/C6H4BrClFN/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,10H2
InChIKeyZLKOKBHTDCXTHF-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-bromo-3-chloro-6-fluoroaniline 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

2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
2-amino-6-chloro-3-fluorophenol
CID 45120107
2-bromo-1-chloro-3-ethenyl-4-fluorobenzene
CID 122237486
2-bromo-6-chloro-3,4-difluoroaniline
CID 122402925
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
3-chloro-6-fluoro-2-nitroaniline
CID 123133688
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
CID 119013054
3,6-dichloro-2-fluoroaniline
CID 46737655
2-bromo-6-chloro-4-fluoro-3-methylaniline
CID 56965564
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
3-amino-2-(2-bromo-3-chloro-6-fluorophenyl)propanoic acid
CID 117477821

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-fluoroaniline?
The IUPAC name of 2-bromo-3-chloro-6-fluoroaniline (CID 106701544) is 2-bromo-3-chloro-6-fluoroaniline.
What is the SMILES notation for 2-bromo-3-chloro-6-fluoroaniline?
The canonical SMILES for 2-bromo-3-chloro-6-fluoroaniline is Nc1c(F)ccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-6-fluoroaniline?
The InChIKey is ZLKOKBHTDCXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFN/c7-5-3(8)1-2-4(9)6(5)10/h1-2H,10H2.
What are the key properties of 2-bromo-3-chloro-6-fluoroaniline?
2-bromo-3-chloro-6-fluoroaniline has a molecular weight of 224.46 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-fluoroaniline is sourced from PubChem (CID 106701544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).