2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole

C10H6Cl2N2O2 — CID 15010131

IUPAC2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole
SMILESO=[N+]([O-])c1c(-c2ccccc2)[nH]c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-9(14(15)16)8(13-10(7)12)6-4-2-1-3-5-6/h1-5,13H
InChIKeyROKJAOFULHUNSQ-UHFFFAOYSA-N
MW257.08 g/mol
LogP3.90
Rot. Bonds2

About 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole

2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole (PubChem CID 15010131) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole
PubChem CID15010131
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole
SMILESO=[N+]([O-])c1c(-c2ccccc2)[nH]c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2O2/c11-7-9(14(15)16)8(13-10(7)12)6-4-2-1-3-5-6/h1-5,13H
InChIKeyROKJAOFULHUNSQ-UHFFFAOYSA-N
XLogP3.90
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole 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 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole?
The IUPAC name of 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole (CID 15010131) is 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole.
What is the SMILES notation for 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole?
The canonical SMILES for 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole is O=[N+]([O-])c1c(-c2ccccc2)[nH]c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole?
The InChIKey is ROKJAOFULHUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-7-9(14(15)16)8(13-10(7)12)6-4-2-1-3-5-6/h1-5,13H.
What are the key properties of 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole?
2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole has a molecular weight of 257.08 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-nitro-5-phenyl-1H-pyrrole is sourced from PubChem (CID 15010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).