2-Methoxy-3-pyridinecarboxaldehyde - CAS 71255-09-9
Catalog: |
BB034336 |
Product Name: |
2-Methoxy-3-pyridinecarboxaldehyde |
CAS: |
71255-09-9 |
Synonyms: |
2-methoxypyridine-3-carbaldehyde |
IUPAC Name: | 2-methoxypyridine-3-carbaldehyde |
Description: | 2-Methoxy-3-pyridinecarboxaldehyde (CAS# 71255-09-9) is used in preparation of nitrogen-containing heterocyclic compound as Pd-1/PD-L1 inhibitors. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | COC1=C(C=CC=N1)C=O |
InChI: | InChI=1S/C7H7NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-5H,1H3 |
InChI Key: | PIFFMIDNNWOQLK-UHFFFAOYSA-N |
Boiling Point: | 200-201 °C |
Purity: | 97.0 % |
Density: | 1.161 g/cm3 |
Appearance: | Color yellow liquid |
MDL: | MFCD04115112 |
LogP: | 0.90270 |
GHS Hazard Statement: | H315 (11.36%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021138690-A | Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof | 20200228 |
WO-2021158481-A1 | Substituted 1,1'-biphenyl compounds and methods using same | 20200203 |
CN-113072551-A | Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof | 20200103 |
CN-112979679-A | Fluoroheterocyclic derivative having macrocyclic structure and use thereof | 20191213 |
WO-2021115401-A1 | Fluorine-containing heterocyclic derivatives with macrocyclic structure and use thereof | 20191213 |
PMID | Publication Date | Title | Journal |
17141289 | 20070101 | Synthesis of pyridine-carboxylate derivatives of hydroxysteroids for liquid chromatography-electrospray ionization-mass spectrometry | Steroids |
Complexity: | 116 |
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: | 0.6 |
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