(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol

C7H9N3O3 — CID 130703554

IUPAC(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H9N3O3/c8-6(4-11)5-1-2-7(9-3-5)10(12)13/h1-3,6,11H,4,8H2/t6-/m0/s1
InChIKeyMJIMQUOLXLVUTQ-LURJTMIESA-N
MW183.17 g/mol
LogP-0.02
Rot. Bonds3

About (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol

(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol (PubChem CID 130703554) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol
PubChem CID130703554
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C7H9N3O3/c8-6(4-11)5-1-2-7(9-3-5)10(12)13/h1-3,6,11H,4,8H2/t6-/m0/s1
InChIKeyMJIMQUOLXLVUTQ-LURJTMIESA-N
XLogP-0.02
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol (CID 130703554) is (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol is N[C@@H](CO)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol?
The InChIKey is MJIMQUOLXLVUTQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H9N3O3/c8-6(4-11)5-1-2-7(9-3-5)10(12)13/h1-3,6,11H,4,8H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol?
(2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol has a molecular weight of 183.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-nitro-3-pyridinyl)ethanol is sourced from PubChem (CID 130703554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).