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

C8H9BrClNO2 — CID 130950779

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CO)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C8H9BrClNO2/c9-4-1-2-5(10)7(8(4)13)6(11)3-12/h1-2,6,12-13H,3,11H2/t6-/m1/s1
InChIKeyFGNODUHYEZSIDN-ZCFIWIBFSA-N
MW266.52 g/mol
LogP1.80
Rot. Bonds2

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

2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol (PubChem CID 130950779) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
PubChem CID130950779
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CO)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C8H9BrClNO2/c9-4-1-2-5(10)7(8(4)13)6(11)3-12/h1-2,6,12-13H,3,11H2/t6-/m1/s1
InChIKeyFGNODUHYEZSIDN-ZCFIWIBFSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
CID 131117949
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
CID 66514115
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
2-[(1S)-1-amino-2-fluoroethyl]-3,6-dibromophenol
CID 130822566
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-[(1S)-1-amino-2-hydroxyethyl]-6-chloro-3-(trifluoromethyl)phenol
CID 66515318
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-bromo-6-chlorophenol
CID 131491160

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol (CID 130950779) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol is N[C@H](CO)c1c(Cl)ccc(Br)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol?
The InChIKey is FGNODUHYEZSIDN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c9-4-1-2-5(10)7(8(4)13)6(11)3-12/h1-2,6,12-13H,3,11H2/t6-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol?
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol has a molecular weight of 266.52 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol is sourced from PubChem (CID 130950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).