2-methoxy-4-nitroaniline

C7H8N2O3 — CID 7337

IUPAC2-methoxy-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChIKeyGVBHRNIWBGTNQA-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.19
Rot. Bonds2

About 2-methoxy-4-nitroaniline

2-methoxy-4-nitroaniline (PubChem CID 7337) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-methoxy-4-nitroaniline.

Molecular Properties

Compound Name2-methoxy-4-nitroaniline
PubChem CID7337
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-methoxy-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChIKeyGVBHRNIWBGTNQA-UHFFFAOYSA-N
XLogP1.19
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.19
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 2-methoxy-4-nitroaniline?
The IUPAC name of 2-methoxy-4-nitroaniline (CID 7337) is 2-methoxy-4-nitroaniline.
What is the SMILES notation for 2-methoxy-4-nitroaniline?
The canonical SMILES for 2-methoxy-4-nitroaniline is COc1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-methoxy-4-nitroaniline?
The InChIKey is GVBHRNIWBGTNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3.
What are the key properties of 2-methoxy-4-nitroaniline?
2-methoxy-4-nitroaniline has a molecular weight of 168.15 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitroaniline is sourced from PubChem (CID 7337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).