lithium (3,5-dinitrophenyl)azanide

C6H4LiN3O4 — CID 139243768

IUPAClithium (3,5-dinitrophenyl)azanide
SMILES[Li+].[NH-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N3O4.Li/c7-4-1-5(8(10)11)3-6(2-4)9(12)13;/h1-3,7H;/q-1;+1
InChIKeyPRWJCSYGBZAYCX-UHFFFAOYSA-N
MW189.06 g/mol
LogP-0.81
Rot. Bonds2

About lithium (3,5-dinitrophenyl)azanide

lithium (3,5-dinitrophenyl)azanide (PubChem CID 139243768) has the molecular formula C6H4LiN3O4 and a molecular weight of 189.06 g/mol. Its IUPAC name is lithium (3,5-dinitrophenyl)azanide.

Molecular Properties

Compound Namelithium (3,5-dinitrophenyl)azanide
PubChem CID139243768
Molecular FormulaC6H4LiN3O4
Molecular Weight189.06 g/mol
Exact Mass189.04
IUPAC Namelithium (3,5-dinitrophenyl)azanide
SMILES[Li+].[NH-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N3O4.Li/c7-4-1-5(8(10)11)3-6(2-4)9(12)13;/h1-3,7H;/q-1;+1
InChIKeyPRWJCSYGBZAYCX-UHFFFAOYSA-N
XLogP-0.81
TPSA110.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 lithium (3,5-dinitrophenyl)azanide?
The IUPAC name of lithium (3,5-dinitrophenyl)azanide (CID 139243768) is lithium (3,5-dinitrophenyl)azanide.
What is the SMILES notation for lithium (3,5-dinitrophenyl)azanide?
The canonical SMILES for lithium (3,5-dinitrophenyl)azanide is [Li+].[NH-]c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of lithium (3,5-dinitrophenyl)azanide?
The InChIKey is PRWJCSYGBZAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3O4.Li/c7-4-1-5(8(10)11)3-6(2-4)9(12)13;/h1-3,7H;/q-1;+1.
What are the key properties of lithium (3,5-dinitrophenyl)azanide?
lithium (3,5-dinitrophenyl)azanide has a molecular weight of 189.06 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3,5-dinitrophenyl)azanide is sourced from PubChem (CID 139243768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).