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

C10H15N3O4 — CID 58903908

IUPAC2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCCN(CCO)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4/c1-3-12(6-7-14)10-8(13(15)16)4-5-9(11-10)17-2/h4-5,14H,3,6-7H2,1-2H3
InChIKeyYHZCNDJTFLKXCY-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.82
Rot. Bonds6

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

2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 58903908) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID58903908
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
SMILESCCN(CCO)c1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4/c1-3-12(6-7-14)10-8(13(15)16)4-5-9(11-10)17-2/h4-5,14H,3,6-7H2,1-2H3
InChIKeyYHZCNDJTFLKXCY-UHFFFAOYSA-N
XLogP0.82
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
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-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol (CID 58903908) is 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is CCN(CCO)c1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is YHZCNDJTFLKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-12(6-7-14)10-8(13(15)16)4-5-9(11-10)17-2/h4-5,14H,3,6-7H2,1-2H3.
What are the key properties of 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol?
2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 241.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 58903908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).