4-bromo-2-chloroaniline

C6H5BrClN — CID 610169

IUPAC4-bromo-2-chloroaniline
SMILESNc1ccc(Br)cc1Cl
InChIInChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyINMZDDDQLHKGPF-UHFFFAOYSA-N
MW206.47 g/mol
LogP2.68
Rot. Bonds

About 4-bromo-2-chloroaniline

4-bromo-2-chloroaniline (PubChem CID 610169) has the molecular formula C6H5BrClN and a molecular weight of 206.47 g/mol. Its IUPAC name is 4-bromo-2-chloroaniline.

Molecular Properties

Compound Name4-bromo-2-chloroaniline
PubChem CID610169
Molecular FormulaC6H5BrClN
Molecular Weight206.47 g/mol
Exact Mass204.93
IUPAC Name4-bromo-2-chloroaniline
SMILESNc1ccc(Br)cc1Cl
InChIInChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyINMZDDDQLHKGPF-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloroaniline?
The IUPAC name of 4-bromo-2-chloroaniline (CID 610169) is 4-bromo-2-chloroaniline.
What is the SMILES notation for 4-bromo-2-chloroaniline?
The canonical SMILES for 4-bromo-2-chloroaniline is Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloroaniline?
The InChIKey is INMZDDDQLHKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2.
What are the key properties of 4-bromo-2-chloroaniline?
4-bromo-2-chloroaniline has a molecular weight of 206.47 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloroaniline is sourced from PubChem (CID 610169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).