6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C7H6BrN3O — CID 5413008

IUPAC6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyMVEUCAYEKFZDEG-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.32
Rot. Bonds

About 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 5413008) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID5413008
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C7H6BrN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyMVEUCAYEKFZDEG-UHFFFAOYSA-N
XLogP1.32
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 5413008) is 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is MVEUCAYEKFZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/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]pyridin-2-one?
6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 228.05 g/mol, XLogP of 1.32, 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]pyridin-2-one is sourced from PubChem (CID 5413008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).