Methyl 6-Cyanopyridine-3-carboxylate - CAS 89809-65-4
Catalog: |
BB039612 |
Product Name: |
Methyl 6-Cyanopyridine-3-carboxylate |
CAS: |
89809-65-4 |
Synonyms: |
6-cyano-3-pyridinecarboxylic acid methyl ester; methyl 6-cyanopyridine-3-carboxylate |
IUPAC Name: | methyl 6-cyanopyridine-3-carboxylate |
Description: | Methyl 6-Cyanopyridine-3-carboxylate (CAS# 89809-65-4) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=CN=C(C=C1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,1H3 |
InChI Key: | FZVAWHJPGGLCPC-UHFFFAOYSA-N |
Boiling Point: | 308.4 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
LogP: | 0.73988 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020244518-A1 | Compound with benzyloxy aromatic ring structure, preparation method and use thereof | 20190604 |
US-2020339559-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
WO-2020219871-A1 | Heterocyclic compounds and their use for treatment of helminthic infections and diseases | 20190426 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2019183587-A1 | Compounds and uses thereof | 20180323 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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