potassium 2-amino-6-nitrobenzoate

C7H5KN2O4 — CID 71764475

IUPACpotassium 2-amino-6-nitrobenzoate
SMILESNc1cccc([N+](=O)[O-])c1C(=O)[O-].[K+]
InChIInChI=1S/C7H6N2O4.K/c8-4-2-1-3-5(9(12)13)6(4)7(10)11;/h1-3H,8H2,(H,10,11);/q;+1/p-1
InChIKeySUEMFHMNZKXORN-UHFFFAOYSA-M
MW220.22 g/mol
LogP-3.46
Rot. Bonds2

About potassium 2-amino-6-nitrobenzoate

potassium 2-amino-6-nitrobenzoate (PubChem CID 71764475) has the molecular formula C7H5KN2O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is potassium 2-amino-6-nitrobenzoate.

Molecular Properties

Compound Namepotassium 2-amino-6-nitrobenzoate
PubChem CID71764475
Molecular FormulaC7H5KN2O4
Molecular Weight220.22 g/mol
Exact Mass219.99
IUPAC Namepotassium 2-amino-6-nitrobenzoate
SMILESNc1cccc([N+](=O)[O-])c1C(=O)[O-].[K+]
InChIInChI=1S/C7H6N2O4.K/c8-4-2-1-3-5(9(12)13)6(4)7(10)11;/h1-3H,8H2,(H,10,11);/q;+1/p-1
InChIKeySUEMFHMNZKXORN-UHFFFAOYSA-M
XLogP-3.46
TPSA109.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-3.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze potassium 2-amino-6-nitrobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
azanium 2-carbamoyl-3-nitrobenzoate
CID 22626949
2-(2-aminobenzoyl)-6-nitrobenzoic acid
CID 139660057
potassium 2-nitro-6-propoxycarbonylbenzoate
CID 139673957
sodium 2-carboxy-3-nitrobenzoate
CID 70569623
2-(2-amino-6-nitrophenyl)acetic acid
CID 118992480
2-nitroaniline;dihydrochloride
CID 69408891
2-nitroaniline;sulfane
CID 175331446
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
acetylene;2-nitroaniline
CID 142135116
2-[(2-amino-6-nitrophenyl)diazenyl]-3-nitroaniline
CID 141030925

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-6-nitrobenzoate?
The IUPAC name of potassium 2-amino-6-nitrobenzoate (CID 71764475) is potassium 2-amino-6-nitrobenzoate.
What is the SMILES notation for potassium 2-amino-6-nitrobenzoate?
The canonical SMILES for potassium 2-amino-6-nitrobenzoate is Nc1cccc([N+](=O)[O-])c1C(=O)[O-].[K+].
What is the InChIKey of potassium 2-amino-6-nitrobenzoate?
The InChIKey is SUEMFHMNZKXORN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2O4.K/c8-4-2-1-3-5(9(12)13)6(4)7(10)11;/h1-3H,8H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-amino-6-nitrobenzoate?
potassium 2-amino-6-nitrobenzoate has a molecular weight of 220.22 g/mol, XLogP of -3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-amino-6-nitrobenzoate is sourced from PubChem (CID 71764475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).