Ethyl 2-Amino-4-(pyridin-4-yl)thiophene-3-carboxylate - CAS 117516-88-8
Catalog: |
BB065927 |
Product Name: |
Ethyl 2-Amino-4-(pyridin-4-yl)thiophene-3-carboxylate |
CAS: |
117516-88-8 |
Synonyms: |
ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate; ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate; ethyl 2-amino-4-pyridin-4-ylthiophene-3-carboxylate; 3-Thiophenecarboxylic acid, 2-amino-4-(4-pyridinyl)-, ethyl ester; ethyl 2-amino-4-(4-pyridyl)thiophene-3-carboxylate; 2-Amino-4-pyridin-4-yl-thiophene-3-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-amino-4-pyridin-4-ylthiophene-3-carboxylate |
Molecular Weight: | 248.3 |
Molecular Formula: | C12H12N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(SC=C1C2=CC=NC=C2)N |
InChI: | InChI=1S/C12H12N2O2S/c1-2-16-12(15)10-9(7-17-11(10)13)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3 |
InChI Key: | LKLAPQXKZAVVPT-UHFFFAOYSA-N |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0619488 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0619488 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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