Basic information
- CAS
875639-78-4- Standard SMILES
COc1ccccc1-c1c[nH]c2ncc(Br)cc12- InChIKey
UWBXQMQUOGPEKU-UHFFFAOYSA-N- Molecular formula
- C14H11BrN2O
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 302.00548
Names & identifiers
- Preferred name
- 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridine
- IUPAC
- 5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
- English name
- 5-Bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C14H11BrN2O
- Molecular weight
- 303.15
Names & synonyms
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine875639-78-45-bromo-3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridineRefChem:533418806-851-1SCHEMBL1516570UWBXQMQUOGPEKU-UHFFFAOYSA-NMFCD26523310AKOS025393549SS-4657DB-427498CS-0456666
Show more names
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(2-methoxyphenyl)-
5-bromo-3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo [2,3-b]pyridine
Database identifiers
- CAS
875639-78-4- PubChem CID
- 59699787
- EC Number
- 806-851-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.40(Predicted)
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers3 total
Related reactions
40 records
Compound notes
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