Basic information
- CAS
64063-57-6- Standard SMILES
O=C(O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1- InChIKey
GDHQAOKGZLRWCG-UHFFFAOYSA-N- Molecular formula
- C25H19NO2
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.14157885
Overview
Picotrin is a small molecule drug. Picotrin has a monoisotopic molecular weight of 365.14 Da.
Names & identifiers
- Preferred name
- Picotrin
- IUPAC
- 5-tritylpyridine-2-carboxylic acid
- English name
- picotrin
- Molecular formula
- C25H19NO2
- Molecular weight
- 365.42
Names & synonyms
PICOTRINPicotrin [INN]64063-57-6UNII-00YVU1F28D00YVU1F28D5-TRITYLPICOLINIC ACID2-Pyridinecarboxylic acid, 5-(triphenylmethyl)-RefChem:1741735-tritylpyridine-2-carboxylic acidPicotrinaPicotrine5-(triphenylmethyl)-picolinic acid
Show more names
5-(Triphenylmethyl)-2-pyridinecarboxylic acid
SCHEMBL2109455CHEMBL2111027GDHQAOKGZLRWCG-UHFFFAOYSA-NQ27231388
Database identifiers
- CAS
64063-57-6- PubChem CID
- 47264
- ChEMBL
CHEMBL2111027- UNII
- 00YVU1F28D
- Nikkaji
- J19.585E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 531.7 · 531.7±38.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 0.95 · 0.95±0.50(Predicted)
- FDA UNII
- 0 YVU1F28D · 00YVU1F28D
Chemistry & industry
Suppliers3 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
3B Scientific Corporation[email protected]
Related reactions
8 records
Compound notes
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