3-(3-bromophenyl)-1-pyridin-4-ylindole

C19H13BrN2 — CID 137385190

IUPAC3-(3-bromophenyl)-1-pyridin-4-ylindole
SMILESBrc1cccc(-c2cn(-c3ccncc3)c3ccccc23)c1
InChIInChI=1S/C19H13BrN2/c20-15-5-3-4-14(12-15)18-13-22(16-8-10-21-11-9-16)19-7-2-1-6-17(18)19/h1-13H
InChIKeyBNVNHJMKICTPAQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.45
Rot. Bonds2

About 3-(3-bromophenyl)-1-pyridin-4-ylindole

3-(3-bromophenyl)-1-pyridin-4-ylindole (PubChem CID 137385190) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-pyridin-4-ylindole.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-pyridin-4-ylindole
PubChem CID137385190
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name3-(3-bromophenyl)-1-pyridin-4-ylindole
SMILESBrc1cccc(-c2cn(-c3ccncc3)c3ccccc23)c1
InChIInChI=1S/C19H13BrN2/c20-15-5-3-4-14(12-15)18-13-22(16-8-10-21-11-9-16)19-7-2-1-6-17(18)19/h1-13H
InChIKeyBNVNHJMKICTPAQ-UHFFFAOYSA-N
XLogP5.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromophenyl)-1-pyridin-4-ylindole 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-(3-bromophenyl)-1-pyridin-4-ylindole?
The IUPAC name of 3-(3-bromophenyl)-1-pyridin-4-ylindole (CID 137385190) is 3-(3-bromophenyl)-1-pyridin-4-ylindole.
What is the SMILES notation for 3-(3-bromophenyl)-1-pyridin-4-ylindole?
The canonical SMILES for 3-(3-bromophenyl)-1-pyridin-4-ylindole is Brc1cccc(-c2cn(-c3ccncc3)c3ccccc23)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-pyridin-4-ylindole?
The InChIKey is BNVNHJMKICTPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c20-15-5-3-4-14(12-15)18-13-22(16-8-10-21-11-9-16)19-7-2-1-6-17(18)19/h1-13H.
What are the key properties of 3-(3-bromophenyl)-1-pyridin-4-ylindole?
3-(3-bromophenyl)-1-pyridin-4-ylindole has a molecular weight of 349.23 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-pyridin-4-ylindole is sourced from PubChem (CID 137385190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).