Basic information
- Standard SMILES
c1c[nH]c2ncnc-2c1- InChIKey
GAMYYCRTACQSBR-UHFFFAOYSA-N- Molecular formula
- C6H5N3
- Average molar mass
- 119.12 g/mol
Overview
4-azabenzimidazole is the [4,5-b]-fused isomer of imidazopyridine.
Names & identifiers
- Preferred name
- Imidazo(4,5-b)pyridine
- IUPAC
- 1H-imidazo[4,5-b]pyridine
- English name
- 4H-Imidazo[4,5-b]pyridine(9CI)
- Molecular formula
- C6H5N3
- Molecular weight
- 119.12
Names & synonyms
1H-Imidazo[4,5-b]pyridine273-21-21-Deazapurine3,4-Diazaindole7-Azabenzimidazole1H-Imidazo(4,5-b)pyridineImidazo(4,5-b)pyridineImidazo[4,5-b]pyridineDTXSID9075375RefChem:79746DTXCID0037653205-987-3
Show more names
4H-Imidazo[4,5-b]pyridine(9CI)
3H-Imidazo[4,5-b]pyridine4-Azabenzimidazole170245-18-84H-Imidazo[4,5-b]pyridine170245-19-9imidazopyridinePyrido(2,3-d)imidazoleazabenzimidazole
Database identifiers
- CAS
170245-19-9- ChEMBL
CHEMBL4476663- ChEBI
CHEBI:59952- EC Number
- 205-987-3
- Nikkaji
- J193.696D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LogP0.3
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information1H-Imidazo4,5-bpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Additional notes
DefinitionChEBI: 4-azabenzimidazole is the [4,5-b]-fused isomer of imidazopyridine.
Related reactions
0 records
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Linked notes
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