6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

C7H6BrN3S — CID 5391173

IUPAC6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1nc2[nH]c(=S)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3S/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeySYOILFGOWAYSAP-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.69
Rot. Bonds

About 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (PubChem CID 5391173) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
PubChem CID5391173
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1nc2[nH]c(=S)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3S/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeySYOILFGOWAYSAP-UHFFFAOYSA-N
XLogP2.69
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (CID 5391173) is 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is Cc1nc2[nH]c(=S)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The InChIKey is SYOILFGOWAYSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12).
What are the key properties of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione has a molecular weight of 244.12 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 5391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).