8-methyl-2-nitropyrido[1,2-a]benzimidazole

C12H9N3O2 — CID 852506

IUPAC8-methyl-2-nitropyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3ccc([N+](=O)[O-])cn3c2c1
InChIInChI=1S/C12H9N3O2/c1-8-2-4-10-11(6-8)14-7-9(15(16)17)3-5-12(14)13-10/h2-7H,1H3
InChIKeyNAEKWEIVYGPBHT-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.70
Rot. Bonds1

About 8-methyl-2-nitropyrido[1,2-a]benzimidazole

8-methyl-2-nitropyrido[1,2-a]benzimidazole (PubChem CID 852506) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 8-methyl-2-nitropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methyl-2-nitropyrido[1,2-a]benzimidazole
PubChem CID852506
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name8-methyl-2-nitropyrido[1,2-a]benzimidazole
SMILESCc1ccc2nc3ccc([N+](=O)[O-])cn3c2c1
InChIInChI=1S/C12H9N3O2/c1-8-2-4-10-11(6-8)14-7-9(15(16)17)3-5-12(14)13-10/h2-7H,1H3
InChIKeyNAEKWEIVYGPBHT-UHFFFAOYSA-N
XLogP2.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 8-methyl-2-nitropyrido[1,2-a]benzimidazole?
The IUPAC name of 8-methyl-2-nitropyrido[1,2-a]benzimidazole (CID 852506) is 8-methyl-2-nitropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 8-methyl-2-nitropyrido[1,2-a]benzimidazole?
The canonical SMILES for 8-methyl-2-nitropyrido[1,2-a]benzimidazole is Cc1ccc2nc3ccc([N+](=O)[O-])cn3c2c1.
What is the InChIKey of 8-methyl-2-nitropyrido[1,2-a]benzimidazole?
The InChIKey is NAEKWEIVYGPBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-2-4-10-11(6-8)14-7-9(15(16)17)3-5-12(14)13-10/h2-7H,1H3.
What are the key properties of 8-methyl-2-nitropyrido[1,2-a]benzimidazole?
8-methyl-2-nitropyrido[1,2-a]benzimidazole has a molecular weight of 227.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-nitropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 852506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).