(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium

C13H11N3O4 — CID 15151138

IUPAC(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-13-8-6-11(7-9-13)15(17)14-10-2-4-12(5-3-10)16(18)19/h2-9H,1H3/b15-14-
InChIKeyPEDWHCUUKZIMIU-PFONDFGASA-N
MW273.25 g/mol
LogP3.53
Rot. Bonds4

About (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium

(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium (PubChem CID 15151138) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
PubChem CID15151138
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-13-8-6-11(7-9-13)15(17)14-10-2-4-12(5-3-10)16(18)19/h2-9H,1H3/b15-14-
InChIKeyPEDWHCUUKZIMIU-PFONDFGASA-N
XLogP3.53
TPSA90.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 14528183
[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
CID 140913976
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 135433724
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 136668916
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
(4-methoxyphenyl) 3-(4-nitrophenyl)prop-2-ynoate
CID 154710639
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium?
The IUPAC name of (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium (CID 15151138) is (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium.
What is the SMILES notation for (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium?
The canonical SMILES for (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium is COc1ccc(/[N+]([O-])=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium?
The InChIKey is PEDWHCUUKZIMIU-PFONDFGASA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-13-8-6-11(7-9-13)15(17)14-10-2-4-12(5-3-10)16(18)19/h2-9H,1H3/b15-14-.
What are the key properties of (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium?
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium has a molecular weight of 273.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium is sourced from PubChem (CID 15151138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).