5-bromo-2-chloro-N-methylaniline

C7H7BrClN — CID 62915048

IUPAC5-bromo-2-chloro-N-methylaniline
SMILESCNc1cc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKeyWRMJNLGRYJFKEK-UHFFFAOYSA-N
MW220.50 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-2-chloro-N-methylaniline

5-bromo-2-chloro-N-methylaniline (PubChem CID 62915048) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-methylaniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-methylaniline
PubChem CID62915048
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name5-bromo-2-chloro-N-methylaniline
SMILESCNc1cc(Br)ccc1Cl
InChIInChI=1S/C7H7BrClN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKeyWRMJNLGRYJFKEK-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-methylaniline?
The IUPAC name of 5-bromo-2-chloro-N-methylaniline (CID 62915048) is 5-bromo-2-chloro-N-methylaniline.
What is the SMILES notation for 5-bromo-2-chloro-N-methylaniline?
The canonical SMILES for 5-bromo-2-chloro-N-methylaniline is CNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-methylaniline?
The InChIKey is WRMJNLGRYJFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3.
What are the key properties of 5-bromo-2-chloro-N-methylaniline?
5-bromo-2-chloro-N-methylaniline has a molecular weight of 220.50 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-methylaniline is sourced from PubChem (CID 62915048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).