Methyl 6-Cyanopyridine-2-carboxylate - CAS 98436-83-0
Catalog: |
BB042161 |
Product Name: |
Methyl 6-Cyanopyridine-2-carboxylate |
CAS: |
98436-83-0 |
Synonyms: |
6-cyano-2-pyridinecarboxylic acid methyl ester; methyl 6-cyanopyridine-2-carboxylate |
IUPAC Name: | methyl 6-cyanopyridine-2-carboxylate |
Description: | Methyl 6-Cyanopyridine-2-carboxylate (CAS# 98436-83-0) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=CC=CC(=N1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,1H3 |
InChI Key: | RWTWEJPTYZWMEY-UHFFFAOYSA-N |
Boiling Point: | 320.3 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.73988 |
Publication Number | Title | Priority Date |
WO-2020156241-A1 | Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof | 20190131 |
CN-112955448-A | Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof | 20190131 |
CA-3079833-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
US-2019127358-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
BR-112020008457-A2 | bridged bicyclic compounds as farnesoid receptor modulators x | 20171101 |
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: | 1.1 |
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