6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol

C8H8Br2N2O4 — CID 66516242

IUPAC6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
SMILESN[C@@H](CO)c1cc([N+](=O)[O-])c(Br)c(Br)c1O
InChIInChI=1S/C8H8Br2N2O4/c9-6-5(12(15)16)1-3(4(11)2-13)8(14)7(6)10/h1,4,13-14H,2,11H2/t4-/m0/s1
InChIKeyZYCDMHLXGDXQLU-BYPYZUCNSA-N
MW355.97 g/mol
LogP1.82
Rot. Bonds3

About 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol

6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol (PubChem CID 66516242) has the molecular formula C8H8Br2N2O4 and a molecular weight of 355.97 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol.

Molecular Properties

Compound Name6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
PubChem CID66516242
Molecular FormulaC8H8Br2N2O4
Molecular Weight355.97 g/mol
Exact Mass353.89
IUPAC Name6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
SMILESN[C@@H](CO)c1cc([N+](=O)[O-])c(Br)c(Br)c1O
InChIInChI=1S/C8H8Br2N2O4/c9-6-5(12(15)16)1-3(4(11)2-13)8(14)7(6)10/h1,4,13-14H,2,11H2/t4-/m0/s1
InChIKeyZYCDMHLXGDXQLU-BYPYZUCNSA-N
XLogP1.82
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.97
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dimethyl-4-nitrophenol
CID 66515001
2-[(1S)-1-amino-2-hydroxyethyl]-4-(hydroxymethyl)-6-nitrophenol
CID 66514961
6-[(1S)-1-amino-2-hydroxyethyl]-3-bromo-4-chloro-2-nitrophenol
CID 66516433
(2S)-2-amino-2-(4-bromo-2-nitrophenyl)ethanol
CID 66515400
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
6-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3-methyl-2-nitrophenol
CID 66515634
4-bromo-2-[(1S)-1,2-diaminoethyl]-6-nitrophenol;hydrochloride
CID 171214744
(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
CID 130648335
5-[(1R)-1-amino-2-hydroxyethyl]-3-nitrobenzene-1,2-diol
CID 131623789
6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol
CID 66515856
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol?
The IUPAC name of 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol (CID 66516242) is 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol.
What is the SMILES notation for 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol?
The canonical SMILES for 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol is N[C@@H](CO)c1cc([N+](=O)[O-])c(Br)c(Br)c1O.
What is the InChIKey of 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol?
The InChIKey is ZYCDMHLXGDXQLU-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8Br2N2O4/c9-6-5(12(15)16)1-3(4(11)2-13)8(14)7(6)10/h1,4,13-14H,2,11H2/t4-/m0/s1.
What are the key properties of 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol?
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol has a molecular weight of 355.97 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol is sourced from PubChem (CID 66516242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).