Home Carboxys 3-Pyridinecarboxylic acid, 5-cyano-6-methyl-

3-Pyridinecarboxylic acid, 5-cyano-6-methyl-

CAS No.:
1216866-96-4
Catalog Number:
AG0015KI
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
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Product Description
Catalog Number:
AG0015KI
Chemical Name:
3-Pyridinecarboxylic acid, 5-cyano-6-methyl-
CAS Number:
1216866-96-4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD11505881
IUPAC Name:
5-cyano-6-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c1-5-6(3-9)2-7(4-10-5)8(11)12/h2,4H,1H3,(H,11,12)
InChI Key:
DIHBEWMXYDGNED-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1C)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties