2-bromo-6-chloro-N-phenylaniline

C12H9BrClN — CID 14369715

IUPAC2-bromo-6-chloro-N-phenylaniline
SMILESClc1cccc(Br)c1Nc1ccccc1
InChIInChI=1S/C12H9BrClN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyJFCSJFULARWPIQ-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.85
Rot. Bonds2

About 2-bromo-6-chloro-N-phenylaniline

2-bromo-6-chloro-N-phenylaniline (PubChem CID 14369715) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-phenylaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-phenylaniline
PubChem CID14369715
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name2-bromo-6-chloro-N-phenylaniline
SMILESClc1cccc(Br)c1Nc1ccccc1
InChIInChI=1S/C12H9BrClN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyJFCSJFULARWPIQ-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-phenylaniline?
The IUPAC name of 2-bromo-6-chloro-N-phenylaniline (CID 14369715) is 2-bromo-6-chloro-N-phenylaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-phenylaniline?
The canonical SMILES for 2-bromo-6-chloro-N-phenylaniline is Clc1cccc(Br)c1Nc1ccccc1.
What is the InChIKey of 2-bromo-6-chloro-N-phenylaniline?
The InChIKey is JFCSJFULARWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of 2-bromo-6-chloro-N-phenylaniline?
2-bromo-6-chloro-N-phenylaniline has a molecular weight of 282.57 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-phenylaniline is sourced from PubChem (CID 14369715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).