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

C20H19BrFN3 — CID 155235229

IUPAC3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2Br)cc1
InChIInChI=1S/C20H19BrFN3/c21-18-12-24-10-7-16(18)17-11-19(13-5-8-23-9-6-13)25-20(17)14-1-3-15(22)4-2-14/h1-4,7,10-13,23,25H,5-6,8-9H2
InChIKeyODYIOGRWRSBFRP-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.11
Rot. Bonds3

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

3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine (PubChem CID 155235229) has the molecular formula C20H19BrFN3 and a molecular weight of 400.30 g/mol. Its IUPAC name is 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
PubChem CID155235229
Molecular FormulaC20H19BrFN3
Molecular Weight400.30 g/mol
Exact Mass399.07
IUPAC Name3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine
SMILESFc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2Br)cc1
InChIInChI=1S/C20H19BrFN3/c21-18-12-24-10-7-16(18)17-11-19(13-5-8-23-9-6-13)25-20(17)14-1-3-15(22)4-2-14/h1-4,7,10-13,23,25H,5-6,8-9H2
InChIKeyODYIOGRWRSBFRP-UHFFFAOYSA-N
XLogP5.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-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 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine (CID 155235229) is 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine is Fc1ccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2Br)cc1.
What is the InChIKey of 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine?
The InChIKey is ODYIOGRWRSBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3/c21-18-12-24-10-7-16(18)17-11-19(13-5-8-23-9-6-13)25-20(17)14-1-3-15(22)4-2-14/h1-4,7,10-13,23,25H,5-6,8-9H2.
What are the key properties of 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine?
3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine has a molecular weight of 400.30 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[2-(4-fluorophenyl)-5-piperidin-4-yl-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 155235229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).