Methyl nicotinate - CAS 93-60-7
Catalog: |
BB040980 |
Product Name: |
Methyl nicotinate |
CAS: |
93-60-7 |
Synonyms: |
methyl pyridine-3-carboxylate |
IUPAC Name: | methyl pyridine-3-carboxylate |
Description: | Methyl nicotinate (CAS# 93-60-7) is a novel, potent inhibitor of HIV-1 integrase with an IC50 of 7.5 nM. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | COC(=O)C1=CN=CC=C1 |
InChI: | InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 |
InChI Key: | YNBADRVTZLEFNH-UHFFFAOYSA-N |
Boiling Point: | 209 °C |
Melting Point: | 38-43 °C |
Flash Point: | 95°C |
Purity: | 98 % |
Density: | 1.137 g/cm3 |
Solubility: | water, 47600 mg/L @ 20 °C (exp) |
Appearance: | White to brownish crystals or crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006388 |
LogP: | 0.86820 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.27 [mmHg] |
GHS Hazard Statement: | H315 (99.25%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429342-A | Synthesis method of pexidaltinib intermediate | 20210729 |
CN-113480534-A | Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof | 20210723 |
CN-113354579-A | High-yield synthesis method of 4-amino methyl nicotinate | 20210715 |
CN-113461608-A | Synthetic method of 6-formyl methyl nicotinate | 20210712 |
CN-113475739-A | Preparation method of S-nicotine | 20210710 |
PMID | Publication Date | Title | Journal |
22445461 | 20120501 | Niacin subsensitivity is associated with functional impairment in schizophrenia | Schizophrenia research |
22368393 | 20120101 | Status of surfactants as penetration enhancers in transdermal drug delivery | Journal of pharmacy & bioallied sciences |
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 |
Complexity: | 125 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyridines
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