4-Methylpyridine-3-carboxylic acid - CAS 3222-50-2
Catalog: |
BB021232 |
Product Name: |
4-Methylpyridine-3-carboxylic acid |
CAS: |
3222-50-2 |
Synonyms: |
4-methylpyridine-3-carboxylic acid |
IUPAC Name: | 4-methylpyridine-3-carboxylic acid |
Description: | 4-Methylpyridine-3-carboxylic acid (CAS# 3222-50-2) is used in the synthesis of nicotinic acid substituted nicotinic acid adenine dinucleotide phosphate analogs. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | CC1=C(C=NC=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO2/c1-5-2-3-8-4-6(5)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | ZKUZSTXNVMIDCY-UHFFFAOYSA-N |
Boiling Point: | 304.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.23 g/cm3 |
MDL: | MFCD00128869 |
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 |
22445461 | 20120501 | Niacin subsensitivity is associated with functional impairment in schizophrenia | Schizophrenia research |
21546308 | 20110701 | Honeybees Apis mellifera can detect the scent of Mycobacterium tuberculosis | Tuberculosis (Edinburgh, Scotland) |
21286598 | 20110328 | Perturbation of solute transport at a liquid-liquid interface by polyethylene glycol (PEG): implications for PEG-induced biomembrane fusion | Physical chemistry chemical physics : PCCP |
21392725 | 20110301 | Persistent erythema with niacin is not attributable to aspirin resistance | Journal of clinical lipidology |
21116407 | 20101008 | Metabolomic investigations of American oysters using H-NMR spectroscopy | Marine drugs |
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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