4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine

C21H14ClFN2 — CID 12967031

IUPAC4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C21H14ClFN2/c22-17-5-1-15(2-6-17)20-13-19(14-3-7-18(23)8-4-14)21(25-20)16-9-11-24-12-10-16/h1-13,25H
InChIKeyJIQRYIXFQANSEL-UHFFFAOYSA-N
MW348.81 g/mol
LogP6.20
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine

4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 12967031) has the molecular formula C21H14ClFN2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine
PubChem CID12967031
Molecular FormulaC21H14ClFN2
Molecular Weight348.81 g/mol
Exact Mass348.08
IUPAC Name4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C21H14ClFN2/c22-17-5-1-15(2-6-17)20-13-19(14-3-7-18(23)8-4-14)21(25-20)16-9-11-24-12-10-16/h1-13,25H
InChIKeyJIQRYIXFQANSEL-UHFFFAOYSA-N
XLogP6.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.81
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]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 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine (CID 12967031) is 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine is Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is JIQRYIXFQANSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2/c22-17-5-1-15(2-6-17)20-13-19(14-3-7-18(23)8-4-14)21(25-20)16-9-11-24-12-10-16/h1-13,25H.
What are the key properties of 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine?
4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 348.81 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 12967031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).