1-methyl-5-nitro-2-phenylindole

C15H12N2O2 — CID 3399276

IUPAC1-methyl-5-nitro-2-phenylindole
SMILESCn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O2/c1-16-14-8-7-13(17(18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyOEBSQOZGZHYXPE-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-5-nitro-2-phenylindole

1-methyl-5-nitro-2-phenylindole (PubChem CID 3399276) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-methyl-5-nitro-2-phenylindole.

Molecular Properties

Compound Name1-methyl-5-nitro-2-phenylindole
PubChem CID3399276
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name1-methyl-5-nitro-2-phenylindole
SMILESCn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H12N2O2/c1-16-14-8-7-13(17(18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyOEBSQOZGZHYXPE-UHFFFAOYSA-N
XLogP3.75
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methyl-5-nitro-2-phenylindole?
The IUPAC name of 1-methyl-5-nitro-2-phenylindole (CID 3399276) is 1-methyl-5-nitro-2-phenylindole.
What is the SMILES notation for 1-methyl-5-nitro-2-phenylindole?
The canonical SMILES for 1-methyl-5-nitro-2-phenylindole is Cn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-5-nitro-2-phenylindole?
The InChIKey is OEBSQOZGZHYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-16-14-8-7-13(17(18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-methyl-5-nitro-2-phenylindole?
1-methyl-5-nitro-2-phenylindole has a molecular weight of 252.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-2-phenylindole is sourced from PubChem (CID 3399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).