2,3-Dihydro-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid - CAS 615568-49-5
Catalog: |
BB067637 |
Product Name: |
2,3-Dihydro-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid |
CAS: |
615568-49-5 |
Synonyms: |
2-oxo-2,3-dihydro-1h-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid; 2,3-Dihydro-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid; 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid; 2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid |
IUPAC Name: | 2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid |
Description: | 2,3-Dihydro-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic Acid, is a pyridyl analogue of 3-Oxo-3,4-dihydro-2H-1,4-(benzothiazine or benzoxazine)-6-carbaldehydes, used for the studies on antibacterial medicinal chemistry. |
Molecular Weight: | 194.14 |
Molecular Formula: | C8H6N2O4 |
Canonical SMILES: | C1C(=O)NC2=C(O1)N=CC(=C2)C(=O)O |
InChI: | InChI=1S/C8H6N2O4/c11-6-3-14-7-5(10-6)1-4(2-9-7)8(12)13/h1-2H,3H2,(H,10,11)(H,12,13) |
InChI Key: | HPXKNLCQHHPJFS-UHFFFAOYSA-N |
References: | Books, G., et al. Tetrahedron Lett., 51, 5035 (2010). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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