2-bromo-4-chloro-6-methylaniline

C7H7BrClN — CID 20543754

IUPAC2-bromo-4-chloro-6-methylaniline
SMILESCc1cc(Cl)cc(Br)c1N
InChIInChI=1S/C7H7BrClN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
InChIKeyPLGLAPAIOBPKMR-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.99
Rot. Bonds

About 2-bromo-4-chloro-6-methylaniline

2-bromo-4-chloro-6-methylaniline (PubChem CID 20543754) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-methylaniline.

Molecular Properties

Compound Name2-bromo-4-chloro-6-methylaniline
PubChem CID20543754
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name2-bromo-4-chloro-6-methylaniline
SMILESCc1cc(Cl)cc(Br)c1N
InChIInChI=1S/C7H7BrClN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
InChIKeyPLGLAPAIOBPKMR-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.99
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 2-bromo-4-chloro-6-methylaniline?
The IUPAC name of 2-bromo-4-chloro-6-methylaniline (CID 20543754) is 2-bromo-4-chloro-6-methylaniline.
What is the SMILES notation for 2-bromo-4-chloro-6-methylaniline?
The canonical SMILES for 2-bromo-4-chloro-6-methylaniline is Cc1cc(Cl)cc(Br)c1N.
What is the InChIKey of 2-bromo-4-chloro-6-methylaniline?
The InChIKey is PLGLAPAIOBPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3.
What are the key properties of 2-bromo-4-chloro-6-methylaniline?
2-bromo-4-chloro-6-methylaniline has a molecular weight of 220.50 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-methylaniline is sourced from PubChem (CID 20543754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).