2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol

C13H21N3O4 — CID 58903897

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol
SMILESCCCCCN(CCO)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O4/c1-3-4-5-8-15(9-10-17)13-11(16(18)19)6-7-12(14-13)20-2/h6-7,17H,3-5,8-10H2,1-2H3
InChIKeyXNGPUXPCFDHPHH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.99
Rot. Bonds9

About 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol

2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol (PubChem CID 58903897) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol
PubChem CID58903897
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol
SMILESCCCCCN(CCO)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O4/c1-3-4-5-8-15(9-10-17)13-11(16(18)19)6-7-12(14-13)20-2/h6-7,17H,3-5,8-10H2,1-2H3
InChIKeyXNGPUXPCFDHPHH-UHFFFAOYSA-N
XLogP1.99
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol (CID 58903897) is 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol is CCCCCN(CCO)c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol?
The InChIKey is XNGPUXPCFDHPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-4-5-8-15(9-10-17)13-11(16(18)19)6-7-12(14-13)20-2/h6-7,17H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol?
2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol has a molecular weight of 283.33 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)-pentylamino]ethanol is sourced from PubChem (CID 58903897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).