4-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo)benzoic acid
Basic information
- CAS
72614-75-6- Standard SMILES
Cc1c(C#N)c(O)n(C)c(=O)c1N=Nc1ccc(C(=O)O)cc1- InChIKey
HXYFIRLXYOQUDP-UHFFFAOYSA-N- Molecular formula
- C15H12N4O4
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.08585488
Names & identifiers
- Preferred name
- 4-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo)benzoic acid
- IUPAC
- 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoic acid
- English name
- 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
- Molecular formula
- C15H12N4O4
- Molecular weight
- 312.28
Names & synonyms
72614-75-6EINECS 276-731-64-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo)benzoic acid4-[(5-Cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoic acidSCHEMBL15886780IYAQJQQNWDKPCC-UHFFFAOYSA-NDTXSID601123548MFCD03175200STL342815AKOS001648709AKOS022102130NS00062712
Show more names
4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
AN-465/14952028SR-01000082295SR-01000082295-14-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)diazenyl]benzoic acid4-[2-(5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl]benzoic acid(E)-4-(2-(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid4-[(1E)-2-(5-CYANO-2-HYDROXY-1,4-DIMETHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)DIAZEN-1-YL]BENZOIC ACID4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl]benzoic acid
Database identifiers
- CAS
72614-75-6- PubChem CID
- 939338
- DTXSID
DTXSID601123548- EC Number
- 276-731-6
- Nikkaji
- J296.330B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 449.219 · 449.219±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.41 · 1.410±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.761 · 1.761±0.58(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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