(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol

C8H8Cl2N2O3 — CID 66515503

IUPAC(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
SMILESN[C@@H](CO)c1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H8Cl2N2O3/c9-4-1-2-6(12(14)15)8(10)7(4)5(11)3-13/h1-2,5,13H,3,11H2/t5-/m0/s1
InChIKeyXGKWFDMNTPLRSE-YFKPBYRVSA-N
MW251.07 g/mol
LogP1.89
Rot. Bonds3

About (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol

(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol (PubChem CID 66515503) has the molecular formula C8H8Cl2N2O3 and a molecular weight of 251.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
PubChem CID66515503
Molecular FormulaC8H8Cl2N2O3
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
SMILESN[C@@H](CO)c1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H8Cl2N2O3/c9-4-1-2-6(12(14)15)8(10)7(4)5(11)3-13/h1-2,5,13H,3,11H2/t5-/m0/s1
InChIKeyXGKWFDMNTPLRSE-YFKPBYRVSA-N
XLogP1.89
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol 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-2-hydroxyethyl]-6-chloro-3-nitrophenol
CID 131505079
1-(2,6-dichloro-3-nitrophenyl)propan-2-amine
CID 131531071
2-[(1S)-1-amino-2-fluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258755
2-(2,6-dichloro-3-nitrophenyl)acetic acid
CID 54265437
(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
CID 130748697
(2,3-dichloro-6-nitrophenyl)methanol
CID 11160370
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
(2R)-2-amino-2-(5-amino-2-nitrophenyl)ethanol
CID 130648335
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
3-chloro-2-(chloromethyl)-6-nitrophenol
CID 154191043
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol (CID 66515503) is (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol is N[C@@H](CO)c1c(Cl)ccc([N+](=O)[O-])c1Cl.
What is the InChIKey of (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol?
The InChIKey is XGKWFDMNTPLRSE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3/c9-4-1-2-6(12(14)15)8(10)7(4)5(11)3-13/h1-2,5,13H,3,11H2/t5-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol?
(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol has a molecular weight of 251.07 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol is sourced from PubChem (CID 66515503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).