(1R)-2-azido-1-(4-nitrophenyl)ethanol

C8H8N4O3 — CID 11481186

IUPAC(1R)-2-azido-1-(4-nitrophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
InChIKeyDHEGJYKMZJGYGW-QMMMGPOBSA-N
MW208.18 g/mol
LogP1.94
Rot. Bonds4

About (1R)-2-azido-1-(4-nitrophenyl)ethanol

(1R)-2-azido-1-(4-nitrophenyl)ethanol (PubChem CID 11481186) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is (1R)-2-azido-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-azido-1-(4-nitrophenyl)ethanol
PubChem CID11481186
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name(1R)-2-azido-1-(4-nitrophenyl)ethanol
SMILES[N-]=[N+]=NC[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
InChIKeyDHEGJYKMZJGYGW-QMMMGPOBSA-N
XLogP1.94
TPSA112.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-azido-1-(4-nitrophenyl)ethanol?
The IUPAC name of (1R)-2-azido-1-(4-nitrophenyl)ethanol (CID 11481186) is (1R)-2-azido-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for (1R)-2-azido-1-(4-nitrophenyl)ethanol?
The canonical SMILES for (1R)-2-azido-1-(4-nitrophenyl)ethanol is [N-]=[N+]=NC[C@H](O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (1R)-2-azido-1-(4-nitrophenyl)ethanol?
The InChIKey is DHEGJYKMZJGYGW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1.
What are the key properties of (1R)-2-azido-1-(4-nitrophenyl)ethanol?
(1R)-2-azido-1-(4-nitrophenyl)ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-azido-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 11481186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).