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Home > Pyridines > 338411-83-9
338411-83-9 | 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
CAS No: 338411-83-9 Catalog No: AG00IXYK MDL No:MFCD00975457
Product Description
Catalog Number:
AG00IXYK
Chemical Name:
2-(2-cyano-1H-pyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
CAS Number:
338411-83-9
Molecular Formula:
C12H8N4O
Molecular Weight:
224.2181
MDL Number:
MFCD00975457
IUPAC Name:
2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C12H8N4O/c1-17-11-4-5-15-12(10(11)8-14)16-6-2-3-9(16)7-13/h2-6H,1H3
InChI Key:
RGIMXAODPMCNFE-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)ccnc1n1cccc1C#N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.223g/mol
Monoisotopic Mass:
224.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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