6-Iodo-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
Basic information
- CAS
309742-29-8- Standard SMILES
Cn1c(=O)[nH]c2cc(I)cnc21- InChIKey
FWRVUOOGWBABBW-UHFFFAOYSA-N- Molecular formula
- C7H6IN3O
- Average molar mass
- 275.05 g/mol
- Monoisotopic mass
- 274.95556
Names & identifiers
- Preferred name
- 6-Iodo-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
- IUPAC
- 6-iodo-3-methyl-1H-imidazo[4,5-b]pyridin-2-one
- English name
- 1,3-Dihydro-6-iodo-3-methyl-2H-imidazo[4,5-b]pyridin-2-one
- Molecular formula
- C7H6IN3O
- Molecular weight
- 275.05
Names & synonyms
309742-29-86-Iodo-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one1,3-Dihydro-6-iodo-3-methyl-2H-imidazo[4,5-b]pyridin-2-one6-iodo-3-methyl-1H-imidazo[4,5-b]pyridin-2-one6-Iodo-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-oneOprea1_610262DTXSID40347608FWRVUOOGWBABBW-UHFFFAOYSA-NImidazo[4,5-b]pyridin-2-one, 2,3-dihydro-6-iodo-3-methyl-AKOS016006986AC-27232DB-333572
Show more names
6-iodo-3-Methyl-1H-iMidazo[4_5-b]pyridin-2(3H)-one2H-IMidazo[4,5-b]pyridin-2-one, 1,3-dihydro-6-iodo-3-Methyl-
CS-0005574AG-205/136313936-iodo-3-methyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one6-Iodo-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one #
Database identifiers
- CAS
309742-29-8- PubChem CID
- 623749
- DTXSID
DTXSID40347608
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 325 °C · >325 °C(Solv: N,N-dimethylformamide (68-12-2))
- Density
- 2.001 · 2.001
- storage temp.
- 2 · 2-8°C
- pka
- 11.76 · 11.76±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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