Methyl 5-methoxypyridine-3-carboxylate - CAS 29681-46-7
Catalog: |
BB020275 |
Product Name: |
Methyl 5-methoxypyridine-3-carboxylate |
CAS: |
29681-46-7 |
Synonyms: |
methyl 5-methoxypyridine-3-carboxylate |
IUPAC Name: | methyl 5-methoxypyridine-3-carboxylate |
Description: | Methyl 5-methoxypyridine-3-carboxylate (CAS# 29681-46-7) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=CN=CC(=C1)C(=O)OC |
InChI: | InChI=1S/C8H9NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h3-5H,1-2H3 |
InChI Key: | JIRJAOSTLIQOCY-UHFFFAOYSA-N |
Boiling Point: | 250.891 ℃ at 760 mmHg |
Melting Point: | 54-59 ℃ |
Purity: | 95 % |
Density: | 1.156 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09265109 |
LogP: | 0.87680 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
WO-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
EP-3300500-B1 | Triazole agonists of the apj receptor | 20150520 |
US-10058550-B2 | Methods of treating heart failure | 20150520 |
US-10221162-B2 | Triazole agonists of the APJ receptor | 20150520 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Related Functional Groups
Pyridines
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