2-bromo-3-chloro-N-methylaniline;hydrochloride

C7H8BrCl2N — CID 146049862

IUPAC2-bromo-3-chloro-N-methylaniline;hydrochloride
SMILESCNc1cccc(Cl)c1Br.Cl
InChIInChI=1S/C7H7BrClN.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4,10H,1H3;1H
InChIKeyNJIZPRHCQXPGBE-UHFFFAOYSA-N
MW256.96 g/mol
LogP3.57
Rot. Bonds1

About 2-bromo-3-chloro-N-methylaniline;hydrochloride

2-bromo-3-chloro-N-methylaniline;hydrochloride (PubChem CID 146049862) has the molecular formula C7H8BrCl2N and a molecular weight of 256.96 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-bromo-3-chloro-N-methylaniline;hydrochloride
PubChem CID146049862
Molecular FormulaC7H8BrCl2N
Molecular Weight256.96 g/mol
Exact Mass254.92
IUPAC Name2-bromo-3-chloro-N-methylaniline;hydrochloride
SMILESCNc1cccc(Cl)c1Br.Cl
InChIInChI=1S/C7H7BrClN.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4,10H,1H3;1H
InChIKeyNJIZPRHCQXPGBE-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-3-chloro-N-methylaniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-methylaniline;hydrochloride?
The IUPAC name of 2-bromo-3-chloro-N-methylaniline;hydrochloride (CID 146049862) is 2-bromo-3-chloro-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-bromo-3-chloro-N-methylaniline;hydrochloride?
The canonical SMILES for 2-bromo-3-chloro-N-methylaniline;hydrochloride is CNc1cccc(Cl)c1Br.Cl.
What is the InChIKey of 2-bromo-3-chloro-N-methylaniline;hydrochloride?
The InChIKey is NJIZPRHCQXPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4,10H,1H3;1H.
What are the key properties of 2-bromo-3-chloro-N-methylaniline;hydrochloride?
2-bromo-3-chloro-N-methylaniline;hydrochloride has a molecular weight of 256.96 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-methylaniline;hydrochloride is sourced from PubChem (CID 146049862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).