3-Chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylic Acid 1,1-Dimethylethyl Ester - CAS 625099-34-5
Catalog: |
BB062327 |
Product Name: |
3-Chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylic Acid 1,1-Dimethylethyl Ester |
CAS: |
625099-34-5 |
Synonyms: |
tert-Butyl 3-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate; tert-butyl 3-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate; 1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLIC ACID, 3-CHLORO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER; 3-Chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylic Acid 1,1-Dimethylethyl Ester; tert-Butyl3-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate |
IUPAC Name: | tert-butyl 3-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate |
Description: | 3-Chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylic Acid 1,1-Dimethylethyl Ester is used in the synthesis of naphthyridine derivatives as chemokine receptor antagonists. |
Molecular Weight: | 268.74 |
Molecular Formula: | C13H17ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=N2)Cl |
InChI: | InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-5-4-11-9(8-16)6-10(14)7-15-11/h6-7H,4-5,8H2,1-3H3 |
InChI Key: | KLMLPIQCXQLHKZ-UHFFFAOYSA-N |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0978555 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0978555 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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