2-nitro-N-phenylaniline

C12H10N2O2 — CID 8407

IUPAC2-nitro-N-phenylaniline
SMILESO=[N+]([O-])c1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKeyRUKISNQKOIKZGT-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.34
Rot. Bonds3

About 2-nitro-N-phenylaniline

2-nitro-N-phenylaniline (PubChem CID 8407) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-nitro-N-phenylaniline.

Molecular Properties

Compound Name2-nitro-N-phenylaniline
PubChem CID8407
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-nitro-N-phenylaniline
SMILESO=[N+]([O-])c1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKeyRUKISNQKOIKZGT-UHFFFAOYSA-N
XLogP3.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitro-N-phenylaniline?
The IUPAC name of 2-nitro-N-phenylaniline (CID 8407) is 2-nitro-N-phenylaniline.
What is the SMILES notation for 2-nitro-N-phenylaniline?
The canonical SMILES for 2-nitro-N-phenylaniline is O=[N+]([O-])c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-nitro-N-phenylaniline?
The InChIKey is RUKISNQKOIKZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 2-nitro-N-phenylaniline?
2-nitro-N-phenylaniline has a molecular weight of 214.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenylaniline is sourced from PubChem (CID 8407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).