2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol

C17H13N3O3 — CID 91609054

IUPAC2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
SMILESCn1ccc2cc(-n3cc4ccc([N+](=O)[O-])cc4c3O)ccc21
InChIInChI=1S/C17H13N3O3/c1-18-7-6-11-8-13(4-5-16(11)18)19-10-12-2-3-14(20(22)23)9-15(12)17(19)21/h2-10,21H,1H3
InChIKeySOAZGTHKJVGXQS-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.74
Rot. Bonds2

About 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol

2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol (PubChem CID 91609054) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
PubChem CID91609054
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
SMILESCn1ccc2cc(-n3cc4ccc([N+](=O)[O-])cc4c3O)ccc21
InChIInChI=1S/C17H13N3O3/c1-18-7-6-11-8-13(4-5-16(11)18)19-10-12-2-3-14(20(22)23)9-15(12)17(19)21/h2-10,21H,1H3
InChIKeySOAZGTHKJVGXQS-UHFFFAOYSA-N
XLogP3.74
TPSA73.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol?
The IUPAC name of 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol (CID 91609054) is 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol.
What is the SMILES notation for 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol?
The canonical SMILES for 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol is Cn1ccc2cc(-n3cc4ccc([N+](=O)[O-])cc4c3O)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol?
The InChIKey is SOAZGTHKJVGXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-18-7-6-11-8-13(4-5-16(11)18)19-10-12-2-3-14(20(22)23)9-15(12)17(19)21/h2-10,21H,1H3.
What are the key properties of 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol?
2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol has a molecular weight of 307.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol is sourced from PubChem (CID 91609054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).