5-ethoxy-2-nitroaniline

C8H10N2O3 — CID 5141789

IUPAC5-ethoxy-2-nitroaniline
SMILESCCOc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C8H10N2O3/c1-2-13-6-3-4-8(10(11)12)7(9)5-6/h3-5H,2,9H2,1H3
InChIKeyNWTQJQSOCJKTDD-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.58
Rot. Bonds3

About 5-ethoxy-2-nitroaniline

5-ethoxy-2-nitroaniline (PubChem CID 5141789) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-ethoxy-2-nitroaniline.

Molecular Properties

Compound Name5-ethoxy-2-nitroaniline
PubChem CID5141789
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-ethoxy-2-nitroaniline
SMILESCCOc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C8H10N2O3/c1-2-13-6-3-4-8(10(11)12)7(9)5-6/h3-5H,2,9H2,1H3
InChIKeyNWTQJQSOCJKTDD-UHFFFAOYSA-N
XLogP1.58
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 5-ethoxy-2-nitroaniline?
The IUPAC name of 5-ethoxy-2-nitroaniline (CID 5141789) is 5-ethoxy-2-nitroaniline.
What is the SMILES notation for 5-ethoxy-2-nitroaniline?
The canonical SMILES for 5-ethoxy-2-nitroaniline is CCOc1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 5-ethoxy-2-nitroaniline?
The InChIKey is NWTQJQSOCJKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-13-6-3-4-8(10(11)12)7(9)5-6/h3-5H,2,9H2,1H3.
What are the key properties of 5-ethoxy-2-nitroaniline?
5-ethoxy-2-nitroaniline has a molecular weight of 182.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-nitroaniline is sourced from PubChem (CID 5141789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).