3-Chloro-1,6-naphthyridin-5(6H)-one - CAS 1393583-57-7
Catalog: |
BB069964 |
Product Name: |
3-Chloro-1,6-naphthyridin-5(6H)-one |
CAS: |
1393583-57-7 |
Synonyms: |
3-CHLORO-1,6-NAPHTHYRIDIN-5(6H)-ONE; 3-Chloro-6H-1,6-naphthyridin-5-one; 3-Chloro-1,6-naphthyridin-5-ol |
IUPAC Name: | 3-chloro-6H-1,6-naphthyridin-5-one |
Description: | 3-Chloro-1,6-naphthyridin-5(6H)-one is a reagent used in the synthesis of pharmaceutical compounds containing a naphthyridin substructure. |
Molecular Weight: | 180.59 |
Molecular Formula: | C8H5ClN2O |
Canonical SMILES: | C1=CNC(=O)C2=C1N=CC(=C2)Cl |
InChI: | InChI=1S/C8H5ClN2O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h1-4H,(H,10,12) |
InChI Key: | HYJQIYWSQWHCIW-UHFFFAOYSA-N |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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