Methyl 4-Cyanopyridine-2-carboxylate - CAS 142729-98-4
Catalog: |
BB009403 |
Product Name: |
Methyl 4-Cyanopyridine-2-carboxylate |
CAS: |
142729-98-4 |
Synonyms: |
4-cyano-2-pyridinecarboxylic acid methyl ester; methyl 4-cyanopyridine-2-carboxylate |
IUPAC Name: | methyl 4-cyanopyridine-2-carboxylate |
Description: | Methyl 4-Cyanopyridine-2-carboxylate (CAS# 142729-98-4) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | COC(=O)C1=NC=CC(=C1)C#N |
InChI: | InChI=1S/C8H6N2O2/c1-12-8(11)7-4-6(5-9)2-3-10-7/h2-4H,1H3 |
InChI Key: | FNYBXMRPDDEITK-UHFFFAOYSA-N |
LogP: | 0.73988 |
Publication Number | Title | Priority Date |
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 |
EP-3704113-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
US-10730863-B2 | Bridged bicyclic compounds as farnesoid X receptor modulators | 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: | 0.8 |
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