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1001413-01-9,MFCD11111121
Catalog No.:AA0000ZN
1001413-01-9 | 3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-
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250mg
1 week  
$92.00
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1g
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5g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000ZN
Chemical Name:
3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo-
CAS Number:
1001413-01-9
Molecular Formula:
C13H9F2NO3
Molecular Weight:
265.2123
MDL Number:
MFCD11111121
IUPAC Name:
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9F2NO3/c14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19)
InChI Key:
CQQJYSYNXKUWPX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.055g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.216g/mol
Monoisotopic Mass:
265.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
1-(3,4-DIFLUOROBENZYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXYLIC ACID 
1001413-01-9 
CS-D0929 
KS-00000P5Q 
ANW-46849 
MFCD11111121 
ZINC72267304 
AKOS015998629 
MP-0857 
RP29443 
ABA-9622524 
DS-16954 
AK-68323 
SY027679 
AB0034341 
AJ-120953 
AX8218253 
TC-135594 
4CH-010889 
FT-0751327 
ST24021025 
X8477 
MFCD11111121 (95%) 
1-(3,4-difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylicacid 
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid 
1-[(3,4-Difluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid 
3-Pyridinecarboxylic acid, 1-[(3,4-difluorophenyl)methyl]-1,2-dihydro-2-oxo- 
C13H9F2NO3 
1-(3,4-Difluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid 
J-503084 
SCHEMBL2621619 
CTK3J8580 
DTXSID40699694 
CQQJYSYNXKUWPX-UHFFFAOYSA-N 
Literature
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