Basic information
- CAS
6863-46-3- Standard SMILES
On1cccc2ncnc1-2- InChIKey
REMGQFLUKHNBEN-UHFFFAOYSA-N- Molecular formula
- C6H5N3O
- Average molar mass
- 135.12 g/mol
- Monoisotopic mass
- 135.04326178
Names & identifiers
- Preferred name
- 3H-imidazo[4,5-b]pyridin-4-ium-4-olate
- IUPAC
- 4-hydroxyimidazo[4,5-b]pyridine
- English name
- 3H-Imidazo[4,5-b]pyridine, 4-oxide
- Molecular formula
- C6H5N3O
- Molecular weight
- 135.12
Names & synonyms
3H-IMIDAZO[4,5-B]PYRIDIN-4-IUM-4-OLATE3H-imidazo(4,5-b)pyridin-4-ium-4-olateRefChem:505627969-517-56863-46-33H-Imidazo[4,5-b]pyridine, 4-oxide1177661-37-83H-Imidazo[4,5-b]pyridine 4-oxide4h-imidazo[4,5-b]pyridin-4-ol1H-imidazo[4,5-b]pyridine 4-oxide4-hydroxyimidazo[4,5-b]pyridine3H-imidazo[4,5-b]pyridine4-oxide
Show more names
1-Deazapurine N3-oxideFampridine Impurity 1164-Oxide-3H-iMidazo[4,5-b]pyridine
MFCD131759644-HYDROXY-4H-IMIDAZO[4,5-B]PYRIDINESCHEMBL7378317SCHEMBL15079515DTXSID50342826imidazo-[4,5-b]pyridine 4-oxideAKOS037643901AS-40061
Database identifiers
- CAS
6863-46-3- PubChem CID
- 584883
- DTXSID
DTXSID50342826- EC Number
- 969-517-5
- Nikkaji
- J2.700.800C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 252 ℃ · 252℃(DEC.)
- Boiling point
- 489.8 · 489.8±37.0 °C(Predicted)
- Density
- 1.51 · 1.51
- pka
- 10.36 · 10.36±0.40(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers12 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
济南凯西生物科技有限公司13370511208; 15853141736 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
苏州阿德莱德化工科技有限公司15995785122 · [email protected]
北京迪泰医药科技有限公司010-13810111756 13810111756 · [email protected]
陕西缔都医药有限责任公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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