Home Carboxys 6-(1H-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid

6-(1H-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid

CAS No.:
1820906-12-4
Catalog Number:
AG01DZ1C
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DZ1C
Chemical Name:
6-(1H-1,2,4-triazol-3-yl)pyridine-3-carboxylic acid
CAS Number:
1820906-12-4
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD22690423
IUPAC Name:
6-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)5-1-2-6(9-3-5)7-10-4-11-12-7/h1-4H,(H,13,14)(H,10,11,12)
InChI Key:
KDDNFIYRWFSBIJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)c1n[nH]cn1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties