Ethyl 4-Chloronicotinate Hydrochloride - CAS 174496-99-2
Catalog: |
BB013011 |
Product Name: |
Ethyl 4-Chloronicotinate Hydrochloride |
CAS: |
174496-99-2 |
Synonyms: |
4-chloro-3-pyridinecarboxylic acid ethyl ester;hydrochloride; ethyl 4-chloropyridine-3-carboxylate;hydrochloride |
IUPAC Name: | ethyl 4-chloropyridine-3-carboxylate;hydrochloride |
Description: | Ethyl 4-Chloronicotinate Hydrochloride (CAS# 174496-99-2) is a useful research chemical. |
Molecular Weight: | 222.07 |
Molecular Formula: | C8H9Cl2NO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CN=C1)Cl.Cl |
InChI: | InChI=1S/C8H8ClNO2.ClH/c1-2-12-8(11)6-5-10-4-3-7(6)9;/h3-5H,2H2,1H3;1H |
InChI Key: | LPFBXCWCEZYZOO-UHFFFAOYSA-N |
Appearance: | Powder |
MDL: | MFCD06804523 |
LogP: | 2.71370 |
Publication Number | Title | Priority Date |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2017157991-A1 | 1-alkyl-pyrazoles and -indazoles as bub1 inhibitors for the treatment of hyperproliferative diseases | 20160318 |
CA-2928998-A1 | Heteroaryl substituted pyrazoles | 20131030 |
EP-3063138-A1 | Heteroaryl substituted pyrazoles | 20131030 |
JP-2016536311-A | Heteroaryl substituted pyrazoles | 20131030 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0010339 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0010339 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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