2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol

C8H9ClN2O4 — CID 131505079

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
SMILESN[C@@H](CO)c1c([N+](=O)[O-])ccc(Cl)c1O
InChIInChI=1S/C8H9ClN2O4/c9-4-1-2-6(11(14)15)7(8(4)13)5(10)3-12/h1-2,5,12-13H,3,10H2/t5-/m0/s1
InChIKeyJFSGYNFEMWFFOE-YFKPBYRVSA-N
MW232.62 g/mol
LogP0.95
Rot. Bonds3

About 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol

2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol (PubChem CID 131505079) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
PubChem CID131505079
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
SMILESN[C@@H](CO)c1c([N+](=O)[O-])ccc(Cl)c1O
InChIInChI=1S/C8H9ClN2O4/c9-4-1-2-6(11(14)15)7(8(4)13)5(10)3-12/h1-2,5,12-13H,3,10H2/t5-/m0/s1
InChIKeyJFSGYNFEMWFFOE-YFKPBYRVSA-N
XLogP0.95
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 50.95
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

2-[(1S)-1-amino-2-fluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258755
(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
CID 66515503
2-[(1S)-1-amino-2,2-difluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258754
2-[(1S)-1-aminoprop-2-enyl]-6-chloro-3-nitrophenol
CID 131383188
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258788
(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
CID 130748697
3-chloro-2-(chloromethyl)-6-nitrophenol
CID 154191043
2-[(1S)-1-amino-2-fluoroethyl]-6-methyl-3-nitrophenol
CID 131613871
2-[(1S)-1-amino-2-hydroxyethyl]-6-chloro-3-(trifluoromethyl)phenol
CID 66515318
2-[(1R)-1-amino-3-methylbutyl]-6-methyl-3-nitrophenol
CID 171258672
2-[(1R)-1-amino-3-methylbutyl]-6-methyl-3-nitrophenol;hydrochloride
CID 171258673
2-[(1S)-1-aminobut-3-enyl]-6-methyl-3-nitrophenol
CID 171255300

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol (CID 131505079) is 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol is N[C@@H](CO)c1c([N+](=O)[O-])ccc(Cl)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol?
The InChIKey is JFSGYNFEMWFFOE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c9-4-1-2-6(11(14)15)7(8(4)13)5(10)3-12/h1-2,5,12-13H,3,10H2/t5-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol?
2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol has a molecular weight of 232.62 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol is sourced from PubChem (CID 131505079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).