Basic information
- CAS
328549-51-5- Standard SMILES
Cc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)n1- InChIKey
QDNYBWDQQFFLQL-UHFFFAOYSA-N- Molecular formula
- C15H10N2O4
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.0640568
Names & identifiers
- Preferred name
- 2-(6-Methylpyridin-2-YL)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- CHEMBRDG-BB 5636979
- Molecular formula
- C15H10N2O4
- Molecular weight
- 282.25
Names & synonyms
328549-51-52-(6-METHYLPYRIDIN-2-YL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACIDMFCD010467752-(6-methylpyridin-2-yl)-1,3-dioxoisoindole-5-carboxylic acid2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acidCBMicro_009187Oprea1_738959DTXSID40358698SMSF0006610AKOS009293189CB11924SB65612
Show more names
CHEMBRDG-BB 56369791H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-(6-methyl-2-pyridinyl)-1,3-dioxo-2-(6-methylpyridin-2-yl)-1,3-dioxoisoindoline-5-carboxylic acid(SALTDATA: FREE)
BS-36766BIM-0009173.P001F3144562-(6-Methyl-2-pyridinyl)-1,3-dioxo-5-isoindolinecarboxylic acid2-(6-methyl-2-pyridyl)-1,3-dioxo-isoindoline-5-carboxylic acid2-(6-METHYLPYRIDIN-2-YL)-1,3-DIOXOISOINDOLINE-5-CARBOXYLICACID
Database identifiers
- CAS
328549-51-5- PubChem CID
- 910698
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 566.2 · 566.2±60.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.20(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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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