Home Carboxys 3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

CAS No.:
1394042-15-9
Catalog Number:
AG01A0C4
Molecular Formula:
C8H9F2N3O2
Molecular Weight:
217.1728
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Product Description
Catalog Number:
AG01A0C4
Chemical Name:
3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CAS Number:
1394042-15-9
Molecular Formula:
C8H9F2N3O2
Molecular Weight:
217.1728
MDL Number:
MFCD22378679
IUPAC Name:
3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H9F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h4,6H,1-3H2,(H,14,15)
InChI Key:
NKZZIJAHOJMTFA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2n(C1)c(nn2)C(F)F
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.176g/mol
Monoisotopic Mass:
217.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties