(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol

C8H8BrClN2O — CID 139294915

IUPAC(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol
SMILESN/C=C(/O)c1cc(Cl)c(Br)cc1N
InChIInChI=1S/C8H8BrClN2O/c9-5-2-7(12)4(1-6(5)10)8(13)3-11/h1-3,13H,11-12H2/b8-3+
InChIKeyKHQMSNUOYAPRLQ-FPYGCLRLSA-N
MW263.52 g/mol
LogP2.50
Rot. Bonds1

About (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol

(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol (PubChem CID 139294915) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol.

Molecular Properties

Compound Name(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol
PubChem CID139294915
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol
SMILESN/C=C(/O)c1cc(Cl)c(Br)cc1N
InChIInChI=1S/C8H8BrClN2O/c9-5-2-7(12)4(1-6(5)10)8(13)3-11/h1-3,13H,11-12H2/b8-3+
InChIKeyKHQMSNUOYAPRLQ-FPYGCLRLSA-N
XLogP2.50
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
1-(2-amino-4-bromo-5-chlorophenyl)-2-bromoethanone
CID 171011811
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
5-bromo-4-chloro-2-methoxyaniline
CID 75537158
5-bromo-4-chloro-2-ethylaniline
CID 123680032
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
lithium;alumane;2-amino-5-bromo-4-chlorobenzoic acid;(2-amino-5-bromo-4-chlorophenyl)methanol;hydride
CID 158252681
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952
2-bromo-4,5-dichlorobenzenecarbothioamide
CID 134588977
2,5-dibromo-4-chlorobenzoic acid
CID 118497106
4-bromo-5-chloro-2-sulfanylbenzoic acid;hydrochloride
CID 159562776

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol?
The IUPAC name of (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol (CID 139294915) is (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol.
What is the SMILES notation for (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol?
The canonical SMILES for (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol is N/C=C(/O)c1cc(Cl)c(Br)cc1N.
What is the InChIKey of (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol?
The InChIKey is KHQMSNUOYAPRLQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-5-2-7(12)4(1-6(5)10)8(13)3-11/h1-3,13H,11-12H2/b8-3+.
What are the key properties of (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol?
(E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol has a molecular weight of 263.52 g/mol, XLogP of 2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-1-(2-amino-4-bromo-5-chlorophenyl)ethenol is sourced from PubChem (CID 139294915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).