2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine

C13H8FN3O2 — CID 118466697

IUPAC2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-6-9-5-11(17(18)19)7-15-13(9)16-12/h1-7H,(H,15,16)
InChIKeyLCSXFODMWZHSOS-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine

2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118466697) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID118466697
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESO=[N+]([O-])c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-6-9-5-11(17(18)19)7-15-13(9)16-12/h1-7H,(H,15,16)
InChIKeyLCSXFODMWZHSOS-UHFFFAOYSA-N
XLogP3.28
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine 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-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine (CID 118466697) is 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine is O=[N+]([O-])c1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LCSXFODMWZHSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-6-9-5-11(17(18)19)7-15-13(9)16-12/h1-7H,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine?
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 257.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118466697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).