Basic information
- CAS
1658466-83-1- Standard SMILES
COc1cc2c(I)n[nH]c2cn1- InChIKey
XZBFJUPBEWSSAG-UHFFFAOYSA-N- Molecular formula
- C7H6IN3O
- Average molar mass
- 275.05 g/mol
Names & identifiers
- Preferred name
- 3-iodo-5-methoxy-1H-pyrazolo[3,4-c]pyridine
- IUPAC
- 3-iodo-5-methoxy-2H-pyrazolo[3,4-c]pyridine
- English name
- 3-Iodo-5-methoxy-1H-pyrazolo[3,4-c]pyridine
- Molecular formula
- C7H6IN3O
- Molecular weight
- 275.05
Names & synonyms
3-iodo-5-methoxy-1H-pyrazolo[3,4-c]pyridine1658466-83-1SCHEMBL16517816XZBFJUPBEWSSAG-UHFFFAOYSA-NMFCD30723742AT53074DB-1056081H-Pyrazolo[3,4-c]pyridine, 3-iodo-5-methoxy-
Database identifiers
- CAS
1658466-83-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 401 · 401.0±40.0 °C(Predicted)
- Density
- 2.046 · 2.046±0.06 g/cm3(Predicted)
- pka
- 8.59 · 8.59±0.40(Predicted)
Chemistry & industry
Suppliers6 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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