3-Methyl-4-pyridinecarboxylic Acid - CAS 4021-12-9
Catalog: |
BB024372 |
Product Name: |
3-Methyl-4-pyridinecarboxylic Acid |
CAS: |
4021-12-9 |
Synonyms: |
3-methyl-4-pyridinecarboxylic acid; 3-methylpyridine-4-carboxylic acid |
IUPAC Name: | 3-methylpyridine-4-carboxylic acid |
Description: | An Isonicotinic Acid (I821760) derivative. Used in the preparation of 4,5-dihydro-1H-pyrazole derivatives as cholesterol 24 hydroxylase inhibitors for prevention and/or treatment of neurodegenerative disease. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | CC1=C(C=CN=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | OSMAGAVKVRGYGR-UHFFFAOYSA-N |
Boiling Point: | 388.6 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD00128870 |
LogP: | 1.08820 |
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 |
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PMID | Publication Date | Title | Journal |
15314646 | 20040801 | Nicotine's defensive function in nature | PLoS biology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Pyridines
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