1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol

C8H8BrCl2NO — CID 10446625

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol
SMILESNc1c(Cl)cc(C(O)CBr)cc1Cl
InChIInChI=1S/C8H8BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7,13H,3,12H2
InChIKeyHKDJMVQLJHXOLP-UHFFFAOYSA-N
MW284.97 g/mol
LogP3.00
Rot. Bonds2

About 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol

1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol (PubChem CID 10446625) has the molecular formula C8H8BrCl2NO and a molecular weight of 284.97 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol
PubChem CID10446625
Molecular FormulaC8H8BrCl2NO
Molecular Weight284.97 g/mol
Exact Mass282.92
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol
SMILESNc1c(Cl)cc(C(O)CBr)cc1Cl
InChIInChI=1S/C8H8BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7,13H,3,12H2
InChIKeyHKDJMVQLJHXOLP-UHFFFAOYSA-N
XLogP3.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.97
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol (CID 10446625) is 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol is Nc1c(Cl)cc(C(O)CBr)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol?
The InChIKey is HKDJMVQLJHXOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2,7,13H,3,12H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol?
1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol has a molecular weight of 284.97 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanol is sourced from PubChem (CID 10446625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).