amino-(5-bromofuran-2-yl)-chloromethanol

C5H5BrClNO2 — CID 174473752

IUPACamino-(5-bromofuran-2-yl)-chloromethanol
SMILESNC(O)(Cl)c1ccc(Br)o1
InChIInChI=1S/C5H5BrClNO2/c6-4-2-1-3(10-4)5(7,8)9/h1-2,9H,8H2
InChIKeyFGEYHTDBOYALLM-UHFFFAOYSA-N
MW226.46 g/mol
LogP1.34
Rot. Bonds1

About amino-(5-bromofuran-2-yl)-chloromethanol

amino-(5-bromofuran-2-yl)-chloromethanol (PubChem CID 174473752) has the molecular formula C5H5BrClNO2 and a molecular weight of 226.46 g/mol. Its IUPAC name is amino-(5-bromofuran-2-yl)-chloromethanol.

Molecular Properties

Compound Nameamino-(5-bromofuran-2-yl)-chloromethanol
PubChem CID174473752
Molecular FormulaC5H5BrClNO2
Molecular Weight226.46 g/mol
Exact Mass224.92
IUPAC Nameamino-(5-bromofuran-2-yl)-chloromethanol
SMILESNC(O)(Cl)c1ccc(Br)o1
InChIInChI=1S/C5H5BrClNO2/c6-4-2-1-3(10-4)5(7,8)9/h1-2,9H,8H2
InChIKeyFGEYHTDBOYALLM-UHFFFAOYSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(5-bromofuran-2-yl)-chloromethanol?
The IUPAC name of amino-(5-bromofuran-2-yl)-chloromethanol (CID 174473752) is amino-(5-bromofuran-2-yl)-chloromethanol.
What is the SMILES notation for amino-(5-bromofuran-2-yl)-chloromethanol?
The canonical SMILES for amino-(5-bromofuran-2-yl)-chloromethanol is NC(O)(Cl)c1ccc(Br)o1.
What is the InChIKey of amino-(5-bromofuran-2-yl)-chloromethanol?
The InChIKey is FGEYHTDBOYALLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClNO2/c6-4-2-1-3(10-4)5(7,8)9/h1-2,9H,8H2.
What are the key properties of amino-(5-bromofuran-2-yl)-chloromethanol?
amino-(5-bromofuran-2-yl)-chloromethanol has a molecular weight of 226.46 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(5-bromofuran-2-yl)-chloromethanol is sourced from PubChem (CID 174473752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).