5-methyl-3-nitroselenopheno[3,2-b]pyridine

C8H6N2O2Se — CID 23271138

IUPAC5-methyl-3-nitroselenopheno[3,2-b]pyridine
SMILESCc1ccc2[se]cc([N+](=O)[O-])c2n1
InChIInChI=1S/C8H6N2O2Se/c1-5-2-3-7-8(9-5)6(4-13-7)10(11)12/h2-4H,1H3
InChIKeyBUCLPBCXCXOOEN-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.51
Rot. Bonds1

About 5-methyl-3-nitroselenopheno[3,2-b]pyridine

5-methyl-3-nitroselenopheno[3,2-b]pyridine (PubChem CID 23271138) has the molecular formula C8H6N2O2Se and a molecular weight of 241.11 g/mol. Its IUPAC name is 5-methyl-3-nitroselenopheno[3,2-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-nitroselenopheno[3,2-b]pyridine
PubChem CID23271138
Molecular FormulaC8H6N2O2Se
Molecular Weight241.11 g/mol
Exact Mass241.96
IUPAC Name5-methyl-3-nitroselenopheno[3,2-b]pyridine
SMILESCc1ccc2[se]cc([N+](=O)[O-])c2n1
InChIInChI=1S/C8H6N2O2Se/c1-5-2-3-7-8(9-5)6(4-13-7)10(11)12/h2-4H,1H3
InChIKeyBUCLPBCXCXOOEN-UHFFFAOYSA-N
XLogP1.51
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitroselenopheno[3,2-b]pyridine?
The IUPAC name of 5-methyl-3-nitroselenopheno[3,2-b]pyridine (CID 23271138) is 5-methyl-3-nitroselenopheno[3,2-b]pyridine.
What is the SMILES notation for 5-methyl-3-nitroselenopheno[3,2-b]pyridine?
The canonical SMILES for 5-methyl-3-nitroselenopheno[3,2-b]pyridine is Cc1ccc2[se]cc([N+](=O)[O-])c2n1.
What is the InChIKey of 5-methyl-3-nitroselenopheno[3,2-b]pyridine?
The InChIKey is BUCLPBCXCXOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2Se/c1-5-2-3-7-8(9-5)6(4-13-7)10(11)12/h2-4H,1H3.
What are the key properties of 5-methyl-3-nitroselenopheno[3,2-b]pyridine?
5-methyl-3-nitroselenopheno[3,2-b]pyridine has a molecular weight of 241.11 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitroselenopheno[3,2-b]pyridine is sourced from PubChem (CID 23271138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).