2-N-(4-nitrophenyl)benzene-1,2-diamine

C12H11N3O2 — CID 13095074

IUPAC2-N-(4-nitrophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c13-11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)15(16)17/h1-8,14H,13H2
InChIKeyNDBLDRIYPHQABH-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.92
Rot. Bonds3

About 2-N-(4-nitrophenyl)benzene-1,2-diamine

2-N-(4-nitrophenyl)benzene-1,2-diamine (PubChem CID 13095074) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-N-(4-nitrophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-nitrophenyl)benzene-1,2-diamine
PubChem CID13095074
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-N-(4-nitrophenyl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c13-11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)15(16)17/h1-8,14H,13H2
InChIKeyNDBLDRIYPHQABH-UHFFFAOYSA-N
XLogP2.92
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
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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Related Compounds

2-(4-nitroanilino)phenol
CID 14224817
N-(4-nitrophenyl)-2-nitrosoaniline
CID 14968784
2-hydroxy-5-nitrobenzaldehyde;2-N-phenylbenzene-1,2-diamine
CID 175171738
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
1-(4-nitroanilino)anthracene-9,10-dione
CID 631257
1-N-(4-tert-butylphenyl)-4-nitrobenzene-1,2-diamine
CID 62507780
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
4-nitro-1-N-(2-propylphenyl)benzene-1,2-diamine
CID 62507468

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-nitrophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(4-nitrophenyl)benzene-1,2-diamine (CID 13095074) is 2-N-(4-nitrophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-nitrophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(4-nitrophenyl)benzene-1,2-diamine is Nc1ccccc1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-N-(4-nitrophenyl)benzene-1,2-diamine?
The InChIKey is NDBLDRIYPHQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)15(16)17/h1-8,14H,13H2.
What are the key properties of 2-N-(4-nitrophenyl)benzene-1,2-diamine?
2-N-(4-nitrophenyl)benzene-1,2-diamine has a molecular weight of 229.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-nitrophenyl)benzene-1,2-diamine is sourced from PubChem (CID 13095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).