2-bromo-5-chloroaniline

C6H5BrClN — CID 11310276

IUPAC2-bromo-5-chloroaniline
SMILESNc1cc(Cl)ccc1Br
InChIInChI=1S/C6H5BrClN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKeyNLEZSQHAFMZAGU-UHFFFAOYSA-N
MW206.47 g/mol
LogP2.68
Rot. Bonds

About 2-bromo-5-chloroaniline

2-bromo-5-chloroaniline (PubChem CID 11310276) has the molecular formula C6H5BrClN and a molecular weight of 206.47 g/mol. Its IUPAC name is 2-bromo-5-chloroaniline.

Molecular Properties

Compound Name2-bromo-5-chloroaniline
PubChem CID11310276
Molecular FormulaC6H5BrClN
Molecular Weight206.47 g/mol
Exact Mass204.93
IUPAC Name2-bromo-5-chloroaniline
SMILESNc1cc(Cl)ccc1Br
InChIInChI=1S/C6H5BrClN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKeyNLEZSQHAFMZAGU-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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Related Compounds

3-Chloroaniline
CID 7932
2-Bromoaniline
CID 11992
2-Bromo-3-chloroaniline
CID 11843442
2-Bromo-4-chloroaniline
CID 70110
4-Bromo-3-chloroaniline
CID 88888
4-Bromo-2-chloroaniline
CID 610169
2-Bromo-5-chloronitrobenzene
CID 2794904
2-Bromo-6-chlorobenzenamine
CID 12406853
Benzenamine, ar-bromo-ar-chloro-
CID 189585
4-Bromo-3,5-dichloroaniline
CID 13749710
3-Bromo-5-chlorobenzene-1,2-diamine
CID 351529
2-Bromo-4,5-dichloroaniline
CID 13168002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloroaniline?
The IUPAC name of 2-bromo-5-chloroaniline (CID 11310276) is 2-bromo-5-chloroaniline.
What is the SMILES notation for 2-bromo-5-chloroaniline?
The canonical SMILES for 2-bromo-5-chloroaniline is Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloroaniline?
The InChIKey is NLEZSQHAFMZAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2.
What are the key properties of 2-bromo-5-chloroaniline?
2-bromo-5-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 2-bromo-5-chloroaniline is sourced from PubChem (CID 11310276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).