5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid - CAS 51727-05-0
Catalog: |
BB027566 |
Product Name: |
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
CAS: |
51727-05-0 |
Synonyms: |
5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid |
Description: | 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS# 51727-05-0) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(NC(=O)C(=C1)C(=O)O)C |
InChI: | InChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12) |
InChI Key: | RRZTUQQCXRBPRG-UHFFFAOYSA-N |
Boiling Point: | 400.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.268 g/cm3 |
MDL: | MFCD02642444 |
LogP: | 0.68990 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020140411-A1 | 2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
TW-202031643-A | 2- amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors | 20181102 |
CN-113272293-A | 2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors | 20181102 |
US-2020079772-A1 | Antiviral pyridopyrazinedione compounds | 20180912 |
WO-2020053654-A1 | Antiviral pyridopyrazinedione compounds | 20180912 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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