1-benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid - CAS 63987-74-6
Catalog: |
BB032339 |
Product Name: |
1-benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid |
CAS: |
63987-74-6 |
Synonyms: |
2-oxo-1-(phenylmethyl)-4-pyridinecarboxylic acid; 1-benzyl-2-oxopyridine-4-carboxylic acid |
IUPAC Name: | 1-benzyl-2-oxopyridine-4-carboxylic acid |
Description: | 1-benzyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (CAS# 63987-74-6) is a useful research chemical. |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=CC(=CC2=O)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c15-12-8-11(13(16)17)6-7-14(12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17) |
InChI Key: | DBDXICAOJOTYBI-UHFFFAOYSA-N |
Boiling Point: | 443.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.355 g/cm3 |
LogP: | 1.59480 |
Publication Number | Title | Priority Date |
EP-3189048-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
US-10005792-B2 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors | 20140903 |
US-2017313713-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
WO-2016034671-A1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
EP-3189048-B1 | Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived prmt5-inhibitors | 20140903 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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