4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
Basic information
- CAS
79638-54-3- Standard SMILES
O=C(O)C1Cc2[nH]cnc2C(c2ccccc2O)N1- InChIKey
WHUQCPQHHXPQDJ-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
- IUPAC
- 4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
- English name
- 4-(2-Hydroxy-phenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
79638-54-34-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid4-(2-Hydroxy-phenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acidMFCD006319774-(2-hydroxyphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acidSMR000171244MLS000553511CHEMBL1310530DTXSID30389133SBB012040STL512189
Show more names
CHEMBRDG-BB 5807454TIMTEC-BB SBB012040methyl 4-((4-amino-6-methylpyrimidin-2-yl)oxy)benzoate4-(1-hydroxy-2-phenyl)-4,5,6,7-tetrahydropyridoimidazole-6-carboxylic acid4-(2-Hydroxy-phenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic ac3H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 4,5,6,7-tetrahydro-4-(2-hydroxyphenyl)-4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid(SALTDATA: FREE)
AKOS000300891AKOS016346824AKOS037491504BS-36163DB-028554CS-0360043ST50218756F055093
Database identifiers
- CAS
79638-54-3- PubChem CID
- 3094232
- DTXSID
DTXSID30389133- ChEMBL
CHEMBL1310530
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 545.552 · 545.552±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.566 · 1.566±0.40(predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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