CAS 34884-10-1 | 1-Methyl-2-cyanopyrrole | CAS Number 34884-10-1

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34884-10-1 | 1-Methyl-2-cyanopyrrole

CAS No: 34884-10-1 Catalog No: AG0032SS MDL No:MFCD02693721

Product Description

Catalog Number:

AG0032SS

Chemical Name:

1-Methyl-2-cyanopyrrole

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

106.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

106.128g/mol

Monoisotopic Mass:

106.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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