methanidyl-(3-nitrophenyl)azanium

C7H8N2O2 — CID 58816630

IUPACmethanidyl-(3-nitrophenyl)azanium
SMILES[CH2-][NH2+]c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5H,1,8H2
InChIKeyDCPFTAZBNIQMKO-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.58
Rot. Bonds2

About methanidyl-(3-nitrophenyl)azanium

methanidyl-(3-nitrophenyl)azanium (PubChem CID 58816630) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methanidyl-(3-nitrophenyl)azanium.

Molecular Properties

Compound Namemethanidyl-(3-nitrophenyl)azanium
PubChem CID58816630
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethanidyl-(3-nitrophenyl)azanium
SMILES[CH2-][NH2+]c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5H,1,8H2
InChIKeyDCPFTAZBNIQMKO-UHFFFAOYSA-N
XLogP0.58
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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

(3-nitrophenyl)phosphane
CID 101369545
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
CID 174796132
CID 174796132
1-methyl-3-nitrobenzene
CID 7422
cyclopropane;3-nitroaniline
CID 175468087
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-3-nitrobenzene chloride
CID 20509973
bis(3-nitrophenyl)diazene
CID 10858607
1-bromo-3-nitrobenzene;zinc
CID 159421870
azane;1-methyl-3-nitrobenzene
CID 174504430
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(3-nitrophenyl)phosphanium chloride
CID 159996468

Frequently Asked Questions

What is the IUPAC name of methanidyl-(3-nitrophenyl)azanium?
The IUPAC name of methanidyl-(3-nitrophenyl)azanium (CID 58816630) is methanidyl-(3-nitrophenyl)azanium.
What is the SMILES notation for methanidyl-(3-nitrophenyl)azanium?
The canonical SMILES for methanidyl-(3-nitrophenyl)azanium is [CH2-][NH2+]c1cccc([N+](=O)[O-])c1.
What is the InChIKey of methanidyl-(3-nitrophenyl)azanium?
The InChIKey is DCPFTAZBNIQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5H,1,8H2.
What are the key properties of methanidyl-(3-nitrophenyl)azanium?
methanidyl-(3-nitrophenyl)azanium has a molecular weight of 152.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-(3-nitrophenyl)azanium is sourced from PubChem (CID 58816630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).