Home Carboxys 6-[methyl(phenyl)amino]pyridine-3-carboxylic acid

6-[methyl(phenyl)amino]pyridine-3-carboxylic acid

CAS No.:
70720-13-7
Catalog Number:
AG019UJI
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG019UJI
Chemical Name:
6-[methyl(phenyl)amino]pyridine-3-carboxylic acid
CAS Number:
70720-13-7
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD09050843
IUPAC Name:
6-(N-methylanilino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c1-15(11-5-3-2-4-6-11)12-8-7-10(9-14-12)13(16)17/h2-9H,1H3,(H,16,17)
InChI Key:
KOTLJYPXQMUZTK-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)c1ccc(cn1)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties