Home Carboxys 5-(1H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxylic acid

5-(1H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxylic acid

CAS No.:
13600-28-7
Catalog Number:
AG01C054
Molecular Formula:
C7H5N5O2
Molecular Weight:
191.1469
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Product Description
Catalog Number:
AG01C054
Chemical Name:
5-(1H-1,2,3,4-tetrazol-5-yl)pyridine-3-carboxylic acid
CAS Number:
13600-28-7
Molecular Formula:
C7H5N5O2
Molecular Weight:
191.1469
MDL Number:
MFCD09881177
IUPAC Name:
5-(2H-tetrazol-5-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5N5O2/c13-7(14)5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H,(H,13,14)(H,9,10,11,12)
InChI Key:
MQUNUOLPVZSPEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1nnn[nH]1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.15g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties