6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride

C8H10BrCl2NO2 — CID 171257157

IUPAC6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H9BrClNO2.ClH/c9-7-5(10)2-1-4(8(7)13)6(11)3-12;/h1-2,6,12-13H,3,11H2;1H/t6-;/m1./s1
InChIKeyIZHLDRXFDYSAKA-FYZOBXCZSA-N
MW302.98 g/mol
LogP2.22
Rot. Bonds2

About 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride

6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride (PubChem CID 171257157) has the molecular formula C8H10BrCl2NO2 and a molecular weight of 302.98 g/mol. Its IUPAC name is 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
PubChem CID171257157
Molecular FormulaC8H10BrCl2NO2
Molecular Weight302.98 g/mol
Exact Mass300.93
IUPAC Name6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H9BrClNO2.ClH/c9-7-5(10)2-1-4(8(7)13)6(11)3-12;/h1-2,6,12-13H,3,11H2;1H/t6-;/m1./s1
InChIKeyIZHLDRXFDYSAKA-FYZOBXCZSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.98
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-chloro-6-[(1R)-1,2-diaminoethyl]phenol
CID 130863163
2-bromo-3-chloro-6-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171257185
6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol
CID 131093400
3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
CID 130849466
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
6-[(1S)-1-amino-2-hydroxyethyl]-3-bromo-4-chloro-2-nitrophenol
CID 66516433
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride?
The IUPAC name of 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride (CID 171257157) is 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride.
What is the SMILES notation for 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride?
The canonical SMILES for 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride is Cl.N[C@H](CO)c1ccc(Cl)c(Br)c1O.
What is the InChIKey of 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride?
The InChIKey is IZHLDRXFDYSAKA-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H9BrClNO2.ClH/c9-7-5(10)2-1-4(8(7)13)6(11)3-12;/h1-2,6,12-13H,3,11H2;1H/t6-;/m1./s1.
What are the key properties of 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride?
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride has a molecular weight of 302.98 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride is sourced from PubChem (CID 171257157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).