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

C10H7N3O4Se — CID 14343206

IUPAC3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole
SMILESCc1n[se]c(-c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-2-4-8(5-3-7)12(14)15/h2-5H,1H3
InChIKeyIOIWQYXOBDVXAX-UHFFFAOYSA-N
MW312.14 g/mol
LogP1.93
Rot. Bonds3

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

3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole (PubChem CID 14343206) has the molecular formula C10H7N3O4Se and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole.

Molecular Properties

Compound Name3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole
PubChem CID14343206
Molecular FormulaC10H7N3O4Se
Molecular Weight312.14 g/mol
Exact Mass312.96
IUPAC Name3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole
SMILESCc1n[se]c(-c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-2-4-8(5-3-7)12(14)15/h2-5H,1H3
InChIKeyIOIWQYXOBDVXAX-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'}

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Related Compounds

5-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
CID 140486
6-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
CID 299519
3-Methyl-4-phenylfurazan
CID 139130
3-Methyl-4-phenylfuroxan
CID 12219475
3-Cyano-4-(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide
CID 25269736
4-Methyl-2-oxo-3-phenyl-1,2,5lambda~5~-oxadiazole
CID 13144102
4-[(1E)-2-(3,4-dimethylphenyl)-2-azavinyl]-3-methyl-1,2,5-oxadiazol-2-ol
CID 479776
5-Ethenyl-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 44423907
5-[(E)-hex-1-enyl]-1-oxido-2,1,3-benzoxadiazol-1-ium
CID 44423926
3-Chloro-4-(4-nitro-phenyl)-[1,2,5]thiadiazole
CID 10705299
3,4-Bis(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide
CID 286537
3-(4-Nitrophenyl)-4-(trifluoromethyl)-1,2,5-oxadiazole
CID 11821295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole?
The IUPAC name of 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole (CID 14343206) is 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole.
What is the SMILES notation for 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole?
The canonical SMILES for 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole is Cc1n[se]c(-c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole?
The InChIKey is IOIWQYXOBDVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4Se/c1-6-9(13(16)17)10(18-11-6)7-2-4-8(5-3-7)12(14)15/h2-5H,1H3.
What are the key properties of 3-methyl-4-nitro-5-(4-nitrophenyl)-1,2-selenazole?
3-methyl-4-nitro-5-(4-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-(4-nitrophenyl)-1,2-selenazole is sourced from PubChem (CID 14343206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).