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Home Carboxys Ethyl 4-(pyridin-4-yl)-1h-pyrrole-3-carboxylate

Ethyl 4-(pyridin-4-yl)-1h-pyrrole-3-carboxylate

CAS No.:
197774-66-6
Catalog Number:
AG002B0I
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$175
- +
1g
96%
In Stock USA
United States
$450
- +
5g
96%
In Stock USA
United States
$1350
- +
10g
96%
In Stock USA
United States
$2225
- +
Product Description
Catalog Number:
AG002B0I
Chemical Name:
Ethyl 4-(pyridin-4-yl)-1h-pyrrole-3-carboxylate
CAS Number:
197774-66-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD08706465
IUPAC Name:
ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-3-5-13-6-4-9/h3-8,14H,2H2,1H3
InChI Key:
JPDVHPANJIDEHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]cc1c1ccncc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Antimycobacterial pyrroles: synthesis, anti-Mycobacterium tuberculosis activity and QSAR studies. Bioorganic & medicinal chemistry 20000601
Properties