Home Carboxys 6-ethylamino-3-pyridine carboxylic acid

6-ethylamino-3-pyridine carboxylic acid

CAS No.:
177759-44-3
Catalog Number:
AG00AMUI
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG00AMUI
Chemical Name:
6-ethylamino-3-pyridine carboxylic acid
CAS Number:
177759-44-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD04115722
IUPAC Name:
6-(ethylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-2-9-7-4-3-6(5-10-7)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChI Key:
SDLJJCXFXNLGDB-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cn1)C(=O)O
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b. Bioorganic & medicinal chemistry letters 20071201
Properties