Home Carboxys 2-(benzylamino)pyridine-3-carboxylic acid

2-(benzylamino)pyridine-3-carboxylic acid

CAS No.:
33522-80-4
Catalog Number:
AG00C8W3
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG00C8W3
Chemical Name:
2-(benzylamino)pyridine-3-carboxylic acid
CAS Number:
33522-80-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD01568566
IUPAC Name:
2-(benzylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)(H,16,17)
InChI Key:
AHAACQWBYCPTNV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1NCc1ccccc1
Properties
Complexity:
252  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties