Ethyl 2,4-Dichloronicotinate - CAS 62022-04-2
Catalog: |
BB031386 |
Product Name: |
Ethyl 2,4-Dichloronicotinate |
CAS: |
62022-04-2 |
Synonyms: |
2,4-dichloro-3-pyridinecarboxylic acid ethyl ester; ethyl 2,4-dichloropyridine-3-carboxylate |
IUPAC Name: | ethyl 2,4-dichloropyridine-3-carboxylate |
Description: | Ethyl 2,4-Dichloronicotinate (CAS# 62022-04-2) is a useful research chemical. |
Molecular Weight: | 220.05 |
Molecular Formula: | C8H7Cl2NO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CN=C1Cl)Cl |
InChI: | InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)6-5(9)3-4-11-7(6)10/h3-4H,2H2,1H3 |
InChI Key: | KMFWUAUMIFXMBF-UHFFFAOYSA-N |
Boiling Point: | 281.9 ℃ at 760 mmHg |
Density: | 1.367 g/cm3 |
MDL: | MFCD12407388 |
LogP: | 2.56510 |
Publication Number | Title | Priority Date |
JP-2018012645-A | New diazabicyclo derivatives | 20141126 |
WO-2016084866-A1 | Novel diazabicyclo derivative | 20141126 |
JP-2015124211-A | Quinazolinone derivatives | 20131227 |
MX-2015005562-A | PIRIDIL COMPOUNDS REPLACED WITH HETEROARILO USEFUL AS KINASE MODULATORS. | 20121108 |
AU-2011275760-A1 | Spiro-cyclic amine derivatives as S1P modulators | 20100709 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9853839 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9853839 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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