3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole

C10H7N3O4Se — CID 14343207

IUPAC3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-4-2-3-5-8(7)12(14)15/h2-5H,1H3
InChIKeyVUMYRGXAIUIEBB-UHFFFAOYSA-N
MW312.14 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole

3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole (PubChem CID 14343207) has the molecular formula C10H7N3O4Se and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole.

Molecular Properties

Compound Name3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole
PubChem CID14343207
Molecular FormulaC10H7N3O4Se
Molecular Weight312.14 g/mol
Exact Mass312.96
IUPAC Name3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-4-2-3-5-8(7)12(14)15/h2-5H,1H3
InChIKeyVUMYRGXAIUIEBB-UHFFFAOYSA-N
XLogP1.93
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole 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

5-methyl-4-(2-nitrophenyl)-1,2-oxazole
CID 21271820
1-(2-methylphenyl)-2,3,4-trinitrobenzene
CID 141268177
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(2-nitrophenyl)benzenesulfonamide
CID 10809354
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
CID 135818846
3-methylsulfanyl-5-(2-nitrophenyl)-1H-pyrazole
CID 21271858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole?
The IUPAC name of 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole (CID 14343207) is 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole.
What is the SMILES notation for 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole?
The canonical SMILES for 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole is Cc1n[se]c(-c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole?
The InChIKey is VUMYRGXAIUIEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-4-2-3-5-8(7)12(14)15/h2-5H,1H3.
What are the key properties of 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole?
3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole has a molecular weight of 312.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole is sourced from PubChem (CID 14343207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).