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

C8H11N3O4 — CID 3023915

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C8H11N3O4/c1-15-7-3-2-6(11(13)14)8(10-7)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)
InChIKeyVEAWFIZYHVCIBA-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.40
Rot. Bonds5

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

2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 3023915) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID3023915
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1ccc([N+](=O)[O-])c(NCCO)n1
InChIInChI=1S/C8H11N3O4/c1-15-7-3-2-6(11(13)14)8(10-7)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)
InChIKeyVEAWFIZYHVCIBA-UHFFFAOYSA-N
XLogP0.40
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (CID 3023915) is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is COc1ccc([N+](=O)[O-])c(NCCO)n1.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is VEAWFIZYHVCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-7-3-2-6(11(13)14)8(10-7)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10).
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 213.19 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 3023915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).