1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid - CAS 15506-18-0
Catalog: |
BB011080 |
Product Name: |
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
CAS: |
15506-18-0 |
Synonyms: |
1-methyl-2-oxo-3-pyridinecarboxylic acid; 1-methyl-2-oxopyridine-3-carboxylic acid |
IUPAC Name: | 1-methyl-2-oxopyridine-3-carboxylic acid |
Description: | 1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS# 15506-18-0) is a useful research chemical. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | CN1C=CC=C(C1=O)C(=O)O |
InChI: | InChI=1S/C7H7NO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | DFAQSHLYVFQOJM-UHFFFAOYSA-N |
MDL: | MFCD00661384 |
LogP: | 0.08350 |
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-2021197276-A1 | Amide compounds and uses thereof | 20200330 |
US-2020383979-A1 | Triaryl compounds for treatment of pd-l1 diseases | 20190515 |
WO-2020232256-A1 | Triaryl compounds for treatment of pd-l1 diseases | 20190515 |
WO-2020200899-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20190329 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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