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100361-18-0 | 1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 100361-18-0 Catalog No: AG0001Q1 MDL No:MFCD08458865
Product Description
Catalog Number:
AG0001Q1
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
100361-18-0
Molecular Formula:
C12H8ClFN2O3
Molecular Weight:
282.6549
MDL Number:
MFCD08458865
IUPAC Name:
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8ClFN2O3/c13-10-8(14)3-6-9(17)7(12(18)19)4-16(5-1-2-5)11(6)15-10/h3-5H,1-2H2,(H,18,19)
InChI Key:
OXNZWNNMJBOZQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(n2)Cl)F
EC Number:
600-082-3
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.655g/mol
Monoisotopic Mass:
282.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 4-Substituted 4-(1H-1,2,3-triazol-1-yl)piperidine: novel C7 moieties of fluoroquinolones as antibacterial agents. | Bioorganic & medicinal chemistry letters 20100501 |
| The synthesis and biological evaluation of a novel series of C7 non-basic substituted fluoroquinolones as antibacterial agents. | Bioorganic & medicinal chemistry letters 20090801 |
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