5-methyl-2-nitroaniline

C7H8N2O2 — CID 11356

IUPAC5-methyl-2-nitroaniline
SMILESCc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
InChIKeyIGDYNWKWXUCIJB-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.49
Rot. Bonds1

About 5-methyl-2-nitroaniline

5-methyl-2-nitroaniline (PubChem CID 11356) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methyl-2-nitroaniline.

Molecular Properties

Compound Name5-methyl-2-nitroaniline
PubChem CID11356
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-methyl-2-nitroaniline
SMILESCc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
InChIKeyIGDYNWKWXUCIJB-UHFFFAOYSA-N
XLogP1.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-2-nitroaniline?
The IUPAC name of 5-methyl-2-nitroaniline (CID 11356) is 5-methyl-2-nitroaniline.
What is the SMILES notation for 5-methyl-2-nitroaniline?
The canonical SMILES for 5-methyl-2-nitroaniline is Cc1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 5-methyl-2-nitroaniline?
The InChIKey is IGDYNWKWXUCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3.
What are the key properties of 5-methyl-2-nitroaniline?
5-methyl-2-nitroaniline has a molecular weight of 152.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitroaniline is sourced from PubChem (CID 11356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).