5-nitro-1H-indole;1H-phosphole-2-carboxamide

C13H12N3O3P — CID 158250465

IUPAC5-nitro-1H-indole;1H-phosphole-2-carboxamide
SMILESNC(=O)c1ccc[pH]1.O=[N+]([O-])c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6N2O2.C5H6NOP/c11-10(12)7-1-2-8-6(5-7)3-4-9-8;6-5(7)4-2-1-3-8-4/h1-5,9H;1-3,8H,(H2,6,7)
InChIKeyGGQNDCXTSAMWHH-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.89
Rot. Bonds2

About 5-nitro-1H-indole;1H-phosphole-2-carboxamide

5-nitro-1H-indole;1H-phosphole-2-carboxamide (PubChem CID 158250465) has the molecular formula C13H12N3O3P and a molecular weight of 289.23 g/mol. Its IUPAC name is 5-nitro-1H-indole;1H-phosphole-2-carboxamide.

Molecular Properties

Compound Name5-nitro-1H-indole;1H-phosphole-2-carboxamide
PubChem CID158250465
Molecular FormulaC13H12N3O3P
Molecular Weight289.23 g/mol
Exact Mass289.06
IUPAC Name5-nitro-1H-indole;1H-phosphole-2-carboxamide
SMILESNC(=O)c1ccc[pH]1.O=[N+]([O-])c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6N2O2.C5H6NOP/c11-10(12)7-1-2-8-6(5-7)3-4-9-8;6-5(7)4-2-1-3-8-4/h1-5,9H;1-3,8H,(H2,6,7)
InChIKeyGGQNDCXTSAMWHH-UHFFFAOYSA-N
XLogP2.89
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
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'}

Analyze 5-nitro-1H-indole;1H-phosphole-2-carboxamide 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 5-nitro-1H-indole;1H-phosphole-2-carboxamide?
The IUPAC name of 5-nitro-1H-indole;1H-phosphole-2-carboxamide (CID 158250465) is 5-nitro-1H-indole;1H-phosphole-2-carboxamide.
What is the SMILES notation for 5-nitro-1H-indole;1H-phosphole-2-carboxamide?
The canonical SMILES for 5-nitro-1H-indole;1H-phosphole-2-carboxamide is NC(=O)c1ccc[pH]1.O=[N+]([O-])c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-nitro-1H-indole;1H-phosphole-2-carboxamide?
The InChIKey is GGQNDCXTSAMWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C5H6NOP/c11-10(12)7-1-2-8-6(5-7)3-4-9-8;6-5(7)4-2-1-3-8-4/h1-5,9H;1-3,8H,(H2,6,7).
What are the key properties of 5-nitro-1H-indole;1H-phosphole-2-carboxamide?
5-nitro-1H-indole;1H-phosphole-2-carboxamide has a molecular weight of 289.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-indole;1H-phosphole-2-carboxamide is sourced from PubChem (CID 158250465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).