2-bromo-6-fluoro-N-methylaniline;hydrochloride

C7H8BrClFN — CID 155820197

IUPAC2-bromo-6-fluoro-N-methylaniline;hydrochloride
SMILESCNc1c(F)cccc1Br.Cl
InChIInChI=1S/C7H7BrFN.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4,10H,1H3;1H
InChIKeySDGALXADEREBGZ-UHFFFAOYSA-N
MW240.50 g/mol
LogP3.05
Rot. Bonds1

About 2-bromo-6-fluoro-N-methylaniline;hydrochloride

2-bromo-6-fluoro-N-methylaniline;hydrochloride (PubChem CID 155820197) has the molecular formula C7H8BrClFN and a molecular weight of 240.50 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methylaniline;hydrochloride
PubChem CID155820197
Molecular FormulaC7H8BrClFN
Molecular Weight240.50 g/mol
Exact Mass238.95
IUPAC Name2-bromo-6-fluoro-N-methylaniline;hydrochloride
SMILESCNc1c(F)cccc1Br.Cl
InChIInChI=1S/C7H7BrFN.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4,10H,1H3;1H
InChIKeySDGALXADEREBGZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methylaniline;hydrochloride?
The IUPAC name of 2-bromo-6-fluoro-N-methylaniline;hydrochloride (CID 155820197) is 2-bromo-6-fluoro-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-bromo-6-fluoro-N-methylaniline;hydrochloride?
The canonical SMILES for 2-bromo-6-fluoro-N-methylaniline;hydrochloride is CNc1c(F)cccc1Br.Cl.
What is the InChIKey of 2-bromo-6-fluoro-N-methylaniline;hydrochloride?
The InChIKey is SDGALXADEREBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4,10H,1H3;1H.
What are the key properties of 2-bromo-6-fluoro-N-methylaniline;hydrochloride?
2-bromo-6-fluoro-N-methylaniline;hydrochloride has a molecular weight of 240.50 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-methylaniline;hydrochloride is sourced from PubChem (CID 155820197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).