Dimethyl 2,3-Pyridinedicarboxylate - CAS 605-38-9
Catalog: |
BB030719 |
Product Name: |
Dimethyl 2,3-Pyridinedicarboxylate |
CAS: |
605-38-9 |
Synonyms: |
pyridine-2,3-dicarboxylic acid dimethyl ester; dimethyl pyridine-2,3-dicarboxylate |
IUPAC Name: | dimethyl pyridine-2,3-dicarboxylate |
Description: | Dimethyl 2,3-Pyridinedicarboxylate (CAS# 605-38-9) is a reagent in the preparation of diarylcyclopentenopyridines as endothelin receptor antagonists. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)C1=C(N=CC=C1)C(=O)OC |
InChI: | InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3 |
InChI Key: | YLGIBCYHQZTFQL-UHFFFAOYSA-N |
Boiling Point: | 262.3 ℃ at 760 mmHg |
Density: | 1.231 g/cm3 |
LogP: | 0.65480 |
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-2021050992-A1 | Usp30 inhibitors and uses thereof | 20190911 |
WO-2021011913-A1 | Tau-protein targeting compounds and associated methods of use | 20190717 |
WO-2020249969-A1 | Cgrp antagonist compounds | 20190612 |
WO-2020249970-A1 | Cgrp antagonist compounds | 20190612 |
WO-2020157271-A2 | Cosmetic composition comprising active agents for combating hair loss, thickening polymers, nonionic surfactants and propellants, and cosmetic treatment process | 20190131 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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