7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine

C7H6BrN3S — CID 84704317

IUPAC7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
SMILESCSc1nc2nccc(Br)c2[nH]1
InChIInChI=1S/C7H6BrN3S/c1-12-7-10-5-4(8)2-3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyHDXKHLGHWFAZHZ-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.44
Rot. Bonds1

About 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine

7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine (PubChem CID 84704317) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
PubChem CID84704317
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
SMILESCSc1nc2nccc(Br)c2[nH]1
InChIInChI=1S/C7H6BrN3S/c1-12-7-10-5-4(8)2-3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11)
InChIKeyHDXKHLGHWFAZHZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine (CID 84704317) is 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine is CSc1nc2nccc(Br)c2[nH]1.
What is the InChIKey of 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is HDXKHLGHWFAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-12-7-10-5-4(8)2-3-9-6(5)11-7/h2-3H,1H3,(H,9,10,11).
What are the key properties of 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine?
7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 244.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 84704317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).