Home Carboxys 3-(pyridine-4-amido)thiophene-2-carboxylic acid

3-(pyridine-4-amido)thiophene-2-carboxylic acid

CAS No.:
926232-01-1
Catalog Number:
AG019UGH
Molecular Formula:
C11H8N2O3S
Molecular Weight:
248.2578
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Product Description
Catalog Number:
AG019UGH
Chemical Name:
3-(pyridine-4-amido)thiophene-2-carboxylic acid
CAS Number:
926232-01-1
Molecular Formula:
C11H8N2O3S
Molecular Weight:
248.2578
MDL Number:
MFCD09050934
IUPAC Name:
3-(pyridine-4-carbonylamino)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H8N2O3S/c14-10(7-1-4-12-5-2-7)13-8-3-6-17-9(8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
MQJQQTDTQYSZMN-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1ccsc1C(=O)O
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.026g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.256g/mol
Monoisotopic Mass:
248.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties