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445428-51-3

445428-51-3 | 2,5-DIMETHYL-1-(4-METHYLPYRIDIN-2-YL)-1H-PYRROLE-3-CARBALDEHYDE

CAS No: 445428-51-3 Catalog No: AG0071KP MDL No:MFCD02629699

Product Description

Catalog Number:
AG0071KP
Chemical Name:
2,5-DIMETHYL-1-(4-METHYLPYRIDIN-2-YL)-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
445428-51-3
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD02629699
IUPAC Name:
2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H14N2O/c1-9-4-5-14-13(6-9)15-10(2)7-12(8-16)11(15)3/h4-8H,1-3H3
InChI Key:
PIGJZPZYWKFDBR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1nccc(c1)C)C

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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