4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline

C21H16FN3 — CID 19072347

IUPAC4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN3/c22-17-5-1-14(2-6-17)19-13-20(15-3-7-18(23)8-4-15)25-21(19)16-9-11-24-12-10-16/h1-13,25H,23H2
InChIKeyPLROHMUOLNMPBX-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.13
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline

4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline (PubChem CID 19072347) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline
PubChem CID19072347
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN3/c22-17-5-1-14(2-6-17)19-13-20(15-3-7-18(23)8-4-15)25-21(19)16-9-11-24-12-10-16/h1-13,25H,23H2
InChIKeyPLROHMUOLNMPBX-UHFFFAOYSA-N
XLogP5.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline 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-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline (CID 19072347) is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline is Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline?
The InChIKey is PLROHMUOLNMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c22-17-5-1-14(2-6-17)19-13-20(15-3-7-18(23)8-4-15)25-21(19)16-9-11-24-12-10-16/h1-13,25H,23H2.
What are the key properties of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline?
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline has a molecular weight of 329.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]aniline is sourced from PubChem (CID 19072347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).