Home Carboxys 2-(1H-pyrrol-1-yl)pyridine-4-carboxylic acid

2-(1H-pyrrol-1-yl)pyridine-4-carboxylic acid

CAS No.:
889943-25-3
Catalog Number:
AG019Z9V
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG019Z9V
Chemical Name:
2-(1H-pyrrol-1-yl)pyridine-4-carboxylic acid
CAS Number:
889943-25-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD08436397
IUPAC Name:
2-pyrrol-1-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h1-7H,(H,13,14)
InChI Key:
ZMSXYMJKQAQXOQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)n1cccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties