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861207-98-9

861207-98-9 | 6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine-3-carbonitrile

CAS No: 861207-98-9 Catalog No: AG00IRDR MDL No:MFCD04124853

Product Description

Catalog Number:
AG00IRDR
Chemical Name:
6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine-3-carbonitrile
CAS Number:
861207-98-9
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD04124853
IUPAC Name:
6-(2,5-dimethylpyrrol-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H11N3/c1-9-3-4-10(2)15(9)12-6-5-11(7-13)8-14-12/h3-6,8H,1-2H3
InChI Key:
WJIPEXLQAXPWGG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)n1c(C)ccc1C

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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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