4-(4-nitrophenyl)aniline

C12H10N2O2 — CID 14593

IUPAC4-(4-nitrophenyl)aniline
SMILESNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2
InChIKeyBOFVBIYTBGDQGY-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.84
Rot. Bonds2

About 4-(4-nitrophenyl)aniline

4-(4-nitrophenyl)aniline (PubChem CID 14593) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name4-(4-nitrophenyl)aniline
PubChem CID14593
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(4-nitrophenyl)aniline
SMILESNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2
InChIKeyBOFVBIYTBGDQGY-UHFFFAOYSA-N
XLogP2.84
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.84
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 4-(4-nitrophenyl)aniline?
The IUPAC name of 4-(4-nitrophenyl)aniline (CID 14593) is 4-(4-nitrophenyl)aniline.
What is the SMILES notation for 4-(4-nitrophenyl)aniline?
The canonical SMILES for 4-(4-nitrophenyl)aniline is Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)aniline?
The InChIKey is BOFVBIYTBGDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2.
What are the key properties of 4-(4-nitrophenyl)aniline?
4-(4-nitrophenyl)aniline has a molecular weight of 214.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)aniline is sourced from PubChem (CID 14593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).