2,4-Dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid - CAS 24186-78-5
Catalog: |
BB018361 |
Product Name: |
2,4-Dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid |
CAS: |
24186-78-5 |
Synonyms: |
2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylic acid |
IUPAC Name: | 2,4-dimethyl-6-oxo-1H-pyridine-3-carboxylic acid |
Description: | 2,4-Dimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid (CAS# 24186-78-5) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=CC(=O)NC(=C1C(=O)O)C |
InChI: | InChI=1S/C8H9NO3/c1-4-3-6(10)9-5(2)7(4)8(11)12/h3H,1-2H3,(H,9,10)(H,11,12) |
InChI Key: | KEUKIIMPYLKESR-UHFFFAOYSA-N |
MDL: | MFCD16040307 |
LogP: | 1.10220 |
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 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
KR-20210101205-A | Amino Acid Compounds and Methods of Use | 20181008 |
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: | -0.3 |
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Related Functional Groups
Pyridines
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