2-(3-chloro-2-fluorophenyl)-1H-pyrrole

C10H7ClFN — CID 137332738

IUPAC2-(3-chloro-2-fluorophenyl)-1H-pyrrole
SMILESFc1c(Cl)cccc1-c1ccc[nH]1
InChIInChI=1S/C10H7ClFN/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1-6,13H
InChIKeyTUPUSZIOLMFVIO-UHFFFAOYSA-N
MW195.62 g/mol
LogP3.47
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-1H-pyrrole

2-(3-chloro-2-fluorophenyl)-1H-pyrrole (PubChem CID 137332738) has the molecular formula C10H7ClFN and a molecular weight of 195.62 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1H-pyrrole
PubChem CID137332738
Molecular FormulaC10H7ClFN
Molecular Weight195.62 g/mol
Exact Mass195.03
IUPAC Name2-(3-chloro-2-fluorophenyl)-1H-pyrrole
SMILESFc1c(Cl)cccc1-c1ccc[nH]1
InChIInChI=1S/C10H7ClFN/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1-6,13H
InChIKeyTUPUSZIOLMFVIO-UHFFFAOYSA-N
XLogP3.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-(3-chloro-2-fluorophenyl)-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-chloro-2-fluorophenyl)-1H-pyrrole?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1H-pyrrole (CID 137332738) is 2-(3-chloro-2-fluorophenyl)-1H-pyrrole.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1H-pyrrole?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1H-pyrrole is Fc1c(Cl)cccc1-c1ccc[nH]1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1H-pyrrole?
The InChIKey is TUPUSZIOLMFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN/c11-8-4-1-3-7(10(8)12)9-5-2-6-13-9/h1-6,13H.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1H-pyrrole?
2-(3-chloro-2-fluorophenyl)-1H-pyrrole has a molecular weight of 195.62 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1H-pyrrole is sourced from PubChem (CID 137332738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).