1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone

C8H7BrClNO2 — CID 171022602

IUPAC1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
SMILESNc1cc(Cl)c(O)c(C(=O)CBr)c1
InChIInChI=1S/C8H7BrClNO2/c9-3-7(12)5-1-4(11)2-6(10)8(5)13/h1-2,13H,3,11H2
InChIKeyAEXUUYLEPZSZPG-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone

1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone (PubChem CID 171022602) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
PubChem CID171022602
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone
SMILESNc1cc(Cl)c(O)c(C(=O)CBr)c1
InChIInChI=1S/C8H7BrClNO2/c9-3-7(12)5-1-4(11)2-6(10)8(5)13/h1-2,13H,3,11H2
InChIKeyAEXUUYLEPZSZPG-UHFFFAOYSA-N
XLogP2.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-chloro-3-hydroxyphenyl)-2-bromoethanone
CID 171022520
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
CID 171014015
4-amino-2,6-dichlorophenol;urea
CID 154637850
1-(4-amino-2,5-dichlorophenyl)-2-bromoethanone
CID 171013966
1-(2-amino-4-bromo-5-chlorophenyl)-2-bromoethanone
CID 171011811
2-bromo-1-(3,4-dichloro-2-hydroxyphenyl)ethanone
CID 54857524
1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021726
1-(4-amino-2-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021855
4-amino-2-chloro-6-ethylphenol
CID 91674507
3-amino-5-(2-bromoacetyl)-4-hydroxybenzonitrile
CID 171011550
1-(3-amino-2-chloro-5-methylphenyl)-2-bromoethanone
CID 171022435
1-(5-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018676

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone?
The IUPAC name of 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone (CID 171022602) is 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone.
What is the SMILES notation for 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone?
The canonical SMILES for 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone is Nc1cc(Cl)c(O)c(C(=O)CBr)c1.
What is the InChIKey of 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone?
The InChIKey is AEXUUYLEPZSZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-3-7(12)5-1-4(11)2-6(10)8(5)13/h1-2,13H,3,11H2.
What are the key properties of 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone?
1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone has a molecular weight of 264.51 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-hydroxyphenyl)-2-bromoethanone is sourced from PubChem (CID 171022602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).