2-Oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic Acid - CAS 115122-63-9
Catalog: |
BB003494 |
Product Name: |
2-Oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic Acid |
CAS: |
115122-63-9 |
Synonyms: |
2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid; 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid |
IUPAC Name: | 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid |
Description: | 2-Oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic Acid (CAS# 115122-63-9) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | C1CC2=C(C1)NC(=O)C(=C2)C(=O)O |
InChI: | InChI=1S/C9H9NO3/c11-8-6(9(12)13)4-5-2-1-3-7(5)10-8/h4H,1-3H2,(H,10,11)(H,12,13) |
InChI Key: | GOBCNYSBQFAPOI-UHFFFAOYSA-N |
Boiling Point: | 447.502 °C at 760 mmHg |
Density: | 1.46 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD07801152 |
LogP: | 0.56180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019002479-A1 | Heterocyclic compounds as rsv inhibitors | 20170630 |
WO-2019006295-A1 | HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS | 20170630 |
US-11091501-B2 | Heterocyclic compounds as RSV inhibitors | 20170630 |
WO-2015060738-A1 | N-{2- [4- (4-methoxyophenyl)-1,3-thiazol-2-yl] ethyl}-2-oxo-2, 5, 6, 7-tetrahydro-1h-cyclopenta [b] pyridine-3-carboxamide for use in the treatment of cancer | 20131023 |
AU-2014294109-B2 | Quinoline derivative | 20130724 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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