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Home Carboxys 3-Pyridinecarboxylic acid, 2-[(2-methoxyphenyl)amino]-

3-Pyridinecarboxylic acid, 2-[(2-methoxyphenyl)amino]-

CAS No.:
114501-02-9
Catalog Number:
AG000ELT
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
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Product Description
Catalog Number:
AG000ELT
Chemical Name:
3-Pyridinecarboxylic acid, 2-[(2-methoxyphenyl)amino]-
CAS Number:
114501-02-9
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD05241565
IUPAC Name:
2-(2-methoxyanilino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H12N2O3/c1-18-11-7-3-2-6-10(11)15-12-9(13(16)17)5-4-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)
InChI Key:
BEXZOAJWOZFOSM-UHFFFAOYSA-N
SMILES:
COc1ccccc1Nc1ncccc1C(=O)O
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties