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

C8H8Cl2N2O4 — CID 66515856

IUPAC6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol
SMILESN[C@@H](CO)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1O
InChIInChI=1S/C8H8Cl2N2O4/c9-4-1-3(5(11)2-13)8(14)7(6(4)10)12(15)16/h1,5,13-14H,2,11H2/t5-/m0/s1
InChIKeyCLSAVBNASCNQPQ-YFKPBYRVSA-N
MW267.07 g/mol
LogP1.60
Rot. Bonds3

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

6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol (PubChem CID 66515856) has the molecular formula C8H8Cl2N2O4 and a molecular weight of 267.07 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol.

Molecular Properties

Compound Name6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol
PubChem CID66515856
Molecular FormulaC8H8Cl2N2O4
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol
SMILESN[C@@H](CO)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1O
InChIInChI=1S/C8H8Cl2N2O4/c9-4-1-3(5(11)2-13)8(14)7(6(4)10)12(15)16/h1,5,13-14H,2,11H2/t5-/m0/s1
InChIKeyCLSAVBNASCNQPQ-YFKPBYRVSA-N
XLogP1.60
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.60
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'}

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

6-[(1R)-1-amino-2-hydroxyethyl]-4-chloro-3-fluoro-2-nitrophenol
CID 66515519
6-[(1S)-1-amino-2-hydroxyethyl]-3-bromo-4-chloro-2-nitrophenol
CID 66516433
6-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3-methyl-2-nitrophenol
CID 66515634
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
CID 66516242
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-(1-amino-2-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 77129959
2-[(1S)-1-amino-2-hydroxyethyl]-4-ethyl-6-nitrophenol
CID 66514974
2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
CID 131505079
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84788284
(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
CID 66515503
(2S)-2-amino-2-(5-methyl-2-nitrophenyl)ethanol
CID 130607743

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol?
The IUPAC name of 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol (CID 66515856) is 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol.
What is the SMILES notation for 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol?
The canonical SMILES for 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol is N[C@@H](CO)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1O.
What is the InChIKey of 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol?
The InChIKey is CLSAVBNASCNQPQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8Cl2N2O4/c9-4-1-3(5(11)2-13)8(14)7(6(4)10)12(15)16/h1,5,13-14H,2,11H2/t5-/m0/s1.
What are the key properties of 6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol?
6-[(1R)-1-amino-2-hydroxyethyl]-3,4-dichloro-2-nitrophenol has a molecular weight of 267.07 g/mol, XLogP of 1.60, 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]-3,4-dichloro-2-nitrophenol is sourced from PubChem (CID 66515856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).