2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride

C6H7BrClNO2 — CID 67834737

IUPAC2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Br)o1
InChIInChI=1S/C6H6BrNO2.ClH/c7-6-2-1-5(10-6)4(9)3-8;/h1-2H,3,8H2;1H
InChIKeyAXEKIMRHTGLPKO-UHFFFAOYSA-N
MW240.48 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride

2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride (PubChem CID 67834737) has the molecular formula C6H7BrClNO2 and a molecular weight of 240.48 g/mol. Its IUPAC name is 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
PubChem CID67834737
Molecular FormulaC6H7BrClNO2
Molecular Weight240.48 g/mol
Exact Mass238.93
IUPAC Name2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Br)o1
InChIInChI=1S/C6H6BrNO2.ClH/c7-6-2-1-5(10-6)4(9)3-8;/h1-2H,3,8H2;1H
InChIKeyAXEKIMRHTGLPKO-UHFFFAOYSA-N
XLogP1.61
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride (CID 67834737) is 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride is Cl.NCC(=O)c1ccc(Br)o1.
What is the InChIKey of 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride?
The InChIKey is AXEKIMRHTGLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2.ClH/c7-6-2-1-5(10-6)4(9)3-8;/h1-2H,3,8H2;1H.
What are the key properties of 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride?
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride has a molecular weight of 240.48 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 67834737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).