2-methoxy-5-nitro-3H-benzo[f]indole

C13H10N2O3 — CID 20665167

IUPAC2-methoxy-5-nitro-3H-benzo[f]indole
SMILESCOC1=Nc2cc3cccc([N+](=O)[O-])c3cc2C1
InChIInChI=1S/C13H10N2O3/c1-18-13-7-9-5-10-8(6-11(9)14-13)3-2-4-12(10)15(16)17/h2-6H,7H2,1H3
InChIKeyYSOOSJQFSRNKIG-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.98
Rot. Bonds1

About 2-methoxy-5-nitro-3H-benzo[f]indole

2-methoxy-5-nitro-3H-benzo[f]indole (PubChem CID 20665167) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-methoxy-5-nitro-3H-benzo[f]indole.

Molecular Properties

Compound Name2-methoxy-5-nitro-3H-benzo[f]indole
PubChem CID20665167
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-methoxy-5-nitro-3H-benzo[f]indole
SMILESCOC1=Nc2cc3cccc([N+](=O)[O-])c3cc2C1
InChIInChI=1S/C13H10N2O3/c1-18-13-7-9-5-10-8(6-11(9)14-13)3-2-4-12(10)15(16)17/h2-6H,7H2,1H3
InChIKeyYSOOSJQFSRNKIG-UHFFFAOYSA-N
XLogP2.98
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.98
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 2-methoxy-5-nitro-3H-benzo[f]indole?
The IUPAC name of 2-methoxy-5-nitro-3H-benzo[f]indole (CID 20665167) is 2-methoxy-5-nitro-3H-benzo[f]indole.
What is the SMILES notation for 2-methoxy-5-nitro-3H-benzo[f]indole?
The canonical SMILES for 2-methoxy-5-nitro-3H-benzo[f]indole is COC1=Nc2cc3cccc([N+](=O)[O-])c3cc2C1.
What is the InChIKey of 2-methoxy-5-nitro-3H-benzo[f]indole?
The InChIKey is YSOOSJQFSRNKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-18-13-7-9-5-10-8(6-11(9)14-13)3-2-4-12(10)15(16)17/h2-6H,7H2,1H3.
What are the key properties of 2-methoxy-5-nitro-3H-benzo[f]indole?
2-methoxy-5-nitro-3H-benzo[f]indole has a molecular weight of 242.23 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-3H-benzo[f]indole is sourced from PubChem (CID 20665167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).