5-bromo-2-chloro-3-methylaniline

C7H7BrClN — CID 21114516

IUPAC5-bromo-2-chloro-3-methylaniline
SMILESCc1cc(Br)cc(N)c1Cl
InChIInChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,10H2,1H3
InChIKeyOFTAZIIMOPHNNF-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.99
Rot. Bonds

About 5-bromo-2-chloro-3-methylaniline

5-bromo-2-chloro-3-methylaniline (PubChem CID 21114516) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-methylaniline.

Molecular Properties

Compound Name5-bromo-2-chloro-3-methylaniline
PubChem CID21114516
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name5-bromo-2-chloro-3-methylaniline
SMILESCc1cc(Br)cc(N)c1Cl
InChIInChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,10H2,1H3
InChIKeyOFTAZIIMOPHNNF-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 5-bromo-2-chloro-3-methylaniline?
The IUPAC name of 5-bromo-2-chloro-3-methylaniline (CID 21114516) is 5-bromo-2-chloro-3-methylaniline.
What is the SMILES notation for 5-bromo-2-chloro-3-methylaniline?
The canonical SMILES for 5-bromo-2-chloro-3-methylaniline is Cc1cc(Br)cc(N)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-methylaniline?
The InChIKey is OFTAZIIMOPHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,10H2,1H3.
What are the key properties of 5-bromo-2-chloro-3-methylaniline?
5-bromo-2-chloro-3-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 5-bromo-2-chloro-3-methylaniline is sourced from PubChem (CID 21114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).