[4-(dimethylamino)-3-nitrophenyl]arsonic acid

C8H11AsN2O5 — CID 131862031

IUPAC[4-(dimethylamino)-3-nitrophenyl]arsonic acid
SMILESCN(C)c1ccc([As](=O)(O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11AsN2O5/c1-10(2)7-4-3-6(9(12,13)14)5-8(7)11(15)16/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyLHZAKWTWROFHEH-UHFFFAOYSA-N
MW290.11 g/mol
LogP-0.78
Rot. Bonds3

About [4-(dimethylamino)-3-nitrophenyl]arsonic acid

[4-(dimethylamino)-3-nitrophenyl]arsonic acid (PubChem CID 131862031) has the molecular formula C8H11AsN2O5 and a molecular weight of 290.11 g/mol. Its IUPAC name is [4-(dimethylamino)-3-nitrophenyl]arsonic acid.

Molecular Properties

Compound Name[4-(dimethylamino)-3-nitrophenyl]arsonic acid
PubChem CID131862031
Molecular FormulaC8H11AsN2O5
Molecular Weight290.11 g/mol
Exact Mass289.99
IUPAC Name[4-(dimethylamino)-3-nitrophenyl]arsonic acid
SMILESCN(C)c1ccc([As](=O)(O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11AsN2O5/c1-10(2)7-4-3-6(9(12,13)14)5-8(7)11(15)16/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyLHZAKWTWROFHEH-UHFFFAOYSA-N
XLogP-0.78
TPSA103.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(dimethylamino)-3-nitrophenyl]arsonic acid 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

(2S)-2-amino-2-[4-(dimethylamino)-3-nitrophenyl]ethanol
CID 66515040
2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]propanedinitrile
CID 7661919
4-(3-aminopropyl)-N,N-dimethyl-2-nitroaniline
CID 170867494
2-[4-(dimethylamino)-3-nitrobenzoyl]benzoic acid
CID 3391041
N,N-dimethyl-2-nitro-4-(1H-pyrazol-5-yl)aniline
CID 124908589
4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9259568
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
[4-[(3-methyl-5-oxopyrazol-4-yl)diazenyl]-3-nitrophenyl]arsonic acid
CID 4685638
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
(3,3-dimethyl-2-oxobutyl) 4-(dimethylamino)-3-nitrobenzoate
CID 7261937
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-nitrophenyl]arsonic acid?
The IUPAC name of [4-(dimethylamino)-3-nitrophenyl]arsonic acid (CID 131862031) is [4-(dimethylamino)-3-nitrophenyl]arsonic acid.
What is the SMILES notation for [4-(dimethylamino)-3-nitrophenyl]arsonic acid?
The canonical SMILES for [4-(dimethylamino)-3-nitrophenyl]arsonic acid is CN(C)c1ccc([As](=O)(O)O)cc1[N+](=O)[O-].
What is the InChIKey of [4-(dimethylamino)-3-nitrophenyl]arsonic acid?
The InChIKey is LHZAKWTWROFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11AsN2O5/c1-10(2)7-4-3-6(9(12,13)14)5-8(7)11(15)16/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of [4-(dimethylamino)-3-nitrophenyl]arsonic acid?
[4-(dimethylamino)-3-nitrophenyl]arsonic acid has a molecular weight of 290.11 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-nitrophenyl]arsonic acid is sourced from PubChem (CID 131862031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).