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Home Other Building Blocks 2-Cyano-1-methylpyrrole

2-Cyano-1-methylpyrrole

CAS No.:
34884-10-1
Catalog Number:
AG0032SS
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$188
- +
10g
95%
In Stock USA
United States
$288
- +
25g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0032SS
Chemical Name:
2-Cyano-1-methylpyrrole
CAS Number:
34884-10-1
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD02693721
IUPAC Name:
1-methylpyrrole-2-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-8-4-2-3-6(8)5-7/h2-4H,1H3
InChI Key:
JRQSGIQEBOZPHK-UHFFFAOYSA-N
SMILES:
N#Cc1cccn1C
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
1-Methyl-1H-pyrrole-2-carbonitrile containing tetrahydronaphthalene derivatives as non-steroidal progesterone receptor antagonists. Bioorganic & medicinal chemistry letters 20100815
Structure-activity relationship and liver microsome stability studies of pyrrole necroptosis inhibitors. Bioorganic & medicinal chemistry letters 20080601
Electrolytic partial fluorination of organic compounds. 83. Anodic fluorination of N-substituted pyrroles and its synthetic applications to gem-difluorinated heterocyclic compounds. The Journal of organic chemistry 20060217
Properties