6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine

C14H10BrN3S — CID 79213246

IUPAC6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CSc4ccccc43)[nH]c2c1
InChIInChI=1S/C14H10BrN3S/c15-8-5-11-14(16-6-8)18-13(17-11)10-7-19-12-4-2-1-3-9(10)12/h1-6,10H,7H2,(H,16,17,18)
InChIKeyZEZPPYAXUYLSTP-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.96
Rot. Bonds1

About 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79213246) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID79213246
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC Name6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(C3CSc4ccccc43)[nH]c2c1
InChIInChI=1S/C14H10BrN3S/c15-8-5-11-14(16-6-8)18-13(17-11)10-7-19-12-4-2-1-3-9(10)12/h1-6,10H,7H2,(H,16,17,18)
InChIKeyZEZPPYAXUYLSTP-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine (CID 79213246) is 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(C3CSc4ccccc43)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZEZPPYAXUYLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-8-5-11-14(16-6-8)18-13(17-11)10-7-19-12-4-2-1-3-9(10)12/h1-6,10H,7H2,(H,16,17,18).
What are the key properties of 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 332.23 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3-dihydro-1-benzothiophen-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79213246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).