Basic information
- CAS
64306-56-5- Standard SMILES
COc1ccc(OC)c(C(=O)c2ccccn2)c1- InChIKey
UTUZWWABOJAYHY-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 2-(2,5-Dimethoxybenzoyl)pyridine
- IUPAC
- (2,5-dimethoxyphenyl)-pyridin-2-ylmethanone
- English name
- 2-(2,5-Dimethoxybenzoyl)pyridine
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
2-(2,5-DIMETHOXYBENZOYL)PYRIDINE64306-56-5DTXSID90357358RefChem:250195DTXCID00308417(2,5-dimethoxyphenyl)-pyridin-2-ylmethanoneMFCD04153497(2,5-Dimethoxyphenyl)(pyridin-2-yl)methanone(2,5-dimethoxyphenyl)(2-pyridinyl)methanoneMLS001179289CHEMBL1374717HMS2844H13
Show more names
AKOS 94040Methanone, (2,5-dimethoxyphenyl)-2-pyridinyl-
AKOS000282233SMR000477808DB-291617(2,5-dimethoxyphenyl)-(2-pyridyl)methanoneCS-0362808AQ-387/42302670F202577
Database identifiers
- CAS
64306-56-5- PubChem CID
- 852001
- DTXSID
DTXSID90357358- ChEMBL
CHEMBL1374717
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
Solubility>36.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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