6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione

C9H10BrN3OS — CID 79306823

IUPAC6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3OS/c1-14-3-2-13-8-7(12-9(13)15)4-6(10)5-11-8/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYSQSRSWGWUSYLT-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.50
Rot. Bonds3

About 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione

6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 79306823) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID79306823
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCOCCn1c(=S)[nH]c2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3OS/c1-14-3-2-13-8-7(12-9(13)15)4-6(10)5-11-8/h4-5H,2-3H2,1H3,(H,12,15)
InChIKeyYSQSRSWGWUSYLT-UHFFFAOYSA-N
XLogP2.50
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione (CID 79306823) is 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione is COCCn1c(=S)[nH]c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is YSQSRSWGWUSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-14-3-2-13-8-7(12-9(13)15)4-6(10)5-11-8/h4-5H,2-3H2,1H3,(H,12,15).
What are the key properties of 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione?
6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 288.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 79306823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).