1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine

C17H17BrN2 — CID 10782556

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccc2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C17H17BrN2/c1-11(2)14-6-7-16(15(18)10-14)20-9-8-13-5-4-12(3)19-17(13)20/h4-11H,1-3H3
InChIKeyGSZLRKKRTKNCQK-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.22
Rot. Bonds2

About 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine

1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine (PubChem CID 10782556) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine
PubChem CID10782556
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccc2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C17H17BrN2/c1-11(2)14-6-7-16(15(18)10-14)20-9-8-13-5-4-12(3)19-17(13)20/h4-11H,1-3H3
InChIKeyGSZLRKKRTKNCQK-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]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 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine (CID 10782556) is 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine is Cc1ccc2ccn(-c3ccc(C(C)C)cc3Br)c2n1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine?
The InChIKey is GSZLRKKRTKNCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-11(2)14-6-7-16(15(18)10-14)20-9-8-13-5-4-12(3)19-17(13)20/h4-11H,1-3H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine?
1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine has a molecular weight of 329.24 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-6-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10782556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).