Home Carboxys 5-(difluoromethyl)-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid

5-(difluoromethyl)-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:
1275366-39-6
Catalog Number:
AG01BFA4
Molecular Formula:
C10H7F2N3O2
Molecular Weight:
239.1783
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Product Description
Catalog Number:
AG01BFA4
Chemical Name:
5-(difluoromethyl)-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
1275366-39-6
Molecular Formula:
C10H7F2N3O2
Molecular Weight:
239.1783
MDL Number:
MFCD17402710
IUPAC Name:
5-(difluoromethyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H7F2N3O2/c11-9(12)8-7(10(16)17)5-14-15(8)6-1-3-13-4-2-6/h1-5,9H,(H,16,17)
InChI Key:
GNQUJNVVPIWUBU-UHFFFAOYSA-N
SMILES:
FC(c1c(cnn1c1ccncc1)C(=O)O)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.182g/mol
Monoisotopic Mass:
239.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties