Basic information
- CAS
243640-28-0- Standard SMILES
COc1cccc(C(=O)c2ccncc2)c1OC- InChIKey
JXRNNYSLIUEYHF-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 4-(2,3-Dimethoxybenzoyl)pyridine
- IUPAC
- (2,3-dimethoxyphenyl)-pyridin-4-ylmethanone
- English name
- (2,3-Dimethoxyphenyl)-4-pyridinyl-methanone
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
243640-28-04-(2,3-dimethoxybenzoyl)pyridineNSC239987(2,3-dimethoxyphenyl)pyridin-4-ylmethanoneMethanone,(2,3-dimethoxyphenyl)-4-pyridinyl-SCHEMBL4230721DTXSID30330281JXRNNYSLIUEYHF-UHFFFAOYSA-N(2,3-Dimethoxyphenyl)-4-pyridinylmethanone(2,3-dimethoxyphenyl)-(4-pyridyl)methanone(2,3-Dimethoxyphenyl)(pyridin-4-yl)methanoneMethanone, (2,3-dimethoxyphenyl)-4-pyridinyl-
Database identifiers
- CAS
243640-28-0- PubChem CID
- 428549
- DTXSID
DTXSID30330281
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 276
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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
16 records
Compound notes
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