1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid - CAS 1001413-01-9
Catalog: |
BB000100 |
Product Name: |
1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid |
CAS: |
1001413-01-9 |
Synonyms: |
1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinecarboxylic acid; 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid |
IUPAC Name: | 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid |
Description: | 1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic Acid (CAS# 1001413-01-9) is a useful research chemical. |
Molecular Weight: | 265.21 |
Molecular Formula: | C13H9F2NO3 |
Canonical SMILES: | C1=CN(C(=O)C(=C1)C(=O)O)CC2=CC(=C(C=C2)F)F |
InChI: | InChI=1S/C13H9F2NO3/c14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19) |
InChI Key: | CQQJYSYNXKUWPX-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.87300 |
Publication Number | Title | Priority Date |
EP-3468556-A1 | 2-oxo-1,2-dihydropyridine-3-carboxamide compounds and their use as dual inhibitors of pdk1/aura | 20160610 |
JP-2019517595-A | 2-Oxo-1,2-dihydropyridine-3-carboxamide compounds and their use as dual inhibitors of PDK1 / AurA | 20160610 |
US-2019160049-A1 | 2-oxo-1,2-dihydropyridine-3-carboxamide compounds and their use as dual inhibitors of pdk1/aura | 20160610 |
WO-2017211946-A1 | 2-oxo-1,2-dihydropyridine-3-carboxamide compounds and their use as dual inhibitors of pdk1/aura | 20160610 |
EP-3307726-A1 | 2-oxo-1,2-dihydropyridine-3-carboxamide compounds and their use as inhibitors of pdk1 | 20150611 |
Complexity: | 447 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.05504947 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.05504947 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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