4-methoxy-2-nitro-N-(4-nitrophenyl)aniline

C13H11N3O5 — CID 86676152

IUPAC4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c1-21-11-6-7-12(13(8-11)16(19)20)14-9-2-4-10(5-3-9)15(17)18/h2-8,14H,1H3
InChIKeyUZDAOZAREANJAN-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.26
Rot. Bonds5

About 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline

4-methoxy-2-nitro-N-(4-nitrophenyl)aniline (PubChem CID 86676152) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
PubChem CID86676152
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
SMILESCOc1ccc(Nc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c1-21-11-6-7-12(13(8-11)16(19)20)14-9-2-4-10(5-3-9)15(17)18/h2-8,14H,1H3
InChIKeyUZDAOZAREANJAN-UHFFFAOYSA-N
XLogP3.26
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
2-(2,4-dinitroanilino)-4-methoxyphenol
CID 86702715
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
4-N-(2,4-dinitrophenyl)-1-N-methylbenzene-1,4-diamine
CID 102249231
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
N-[4-[4-[2-[4-[4-(2,4-dinitroanilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-2,4-dinitroaniline
CID 3089132
3-methoxy-N-(4-nitrophenyl)aniline
CID 4763849
N-(2,4-dinitrophenyl)-3,4,5-trimethoxyaniline
CID 9279315
4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
CID 5486733
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline?
The IUPAC name of 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline (CID 86676152) is 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline?
The canonical SMILES for 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline is COc1ccc(Nc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline?
The InChIKey is UZDAOZAREANJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-11-6-7-12(13(8-11)16(19)20)14-9-2-4-10(5-3-9)15(17)18/h2-8,14H,1H3.
What are the key properties of 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline?
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline has a molecular weight of 289.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 86676152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).