3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine

C11H7BrN2S — CID 86080449

IUPAC3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESBrc1c(-c2ccsc2)[nH]c2cnccc12
InChIInChI=1S/C11H7BrN2S/c12-10-8-1-3-13-5-9(8)14-11(10)7-2-4-15-6-7/h1-6,14H
InChIKeyUCKQWCSTZXSZLN-UHFFFAOYSA-N
MW279.16 g/mol
LogP4.05
Rot. Bonds1

About 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine

3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 86080449) has the molecular formula C11H7BrN2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID86080449
Molecular FormulaC11H7BrN2S
Molecular Weight279.16 g/mol
Exact Mass277.95
IUPAC Name3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
SMILESBrc1c(-c2ccsc2)[nH]c2cnccc12
InChIInChI=1S/C11H7BrN2S/c12-10-8-1-3-13-5-9(8)14-11(10)7-2-4-15-6-7/h1-6,14H
InChIKeyUCKQWCSTZXSZLN-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]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-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine (CID 86080449) is 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine is Brc1c(-c2ccsc2)[nH]c2cnccc12.
What is the InChIKey of 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is UCKQWCSTZXSZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2S/c12-10-8-1-3-13-5-9(8)14-11(10)7-2-4-15-6-7/h1-6,14H.
What are the key properties of 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine?
3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 279.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 86080449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).