Methyl 2-Cyanopyridine-3-carboxylate - CAS 75358-89-3
Catalog: |
BB035303 |
Product Name: |
Methyl 2-Cyanopyridine-3-carboxylate |
CAS: |
75358-89-3 |
Synonyms: |
2-cyano-3-pyridinecarboxylic acid methyl ester; methyl 2-cyanopyridine-3-carboxylate |
IUPAC Name: | methyl 2-cyanopyridine-3-carboxylate |
Description: | Methyl 2-Cyanopyridine-3-carboxylate (CAS# 75358-89-3) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=C(N=CC=C1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,1H3 |
InChI Key: | ANPYBZGPGODWJD-UHFFFAOYSA-N |
Boiling Point: | 318 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
LogP: | 0.73988 |
Publication Number | Title | Priority Date |
WO-2021014365-A1 | Macrocyclic compounds as sting agonists and methods and uses thereof | 20190722 |
US-10626156-B2 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
US-2015246958-A1 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
WO-2015081891-A1 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
US-2020291086-A1 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
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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