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Home > Pyridines > 338412-33-2
338412-33-2 | 3-CYANO-2-(2-FORMYL-1H-PYRROL-1-YL)-4-METHOXYPYRIDINE
CAS No: 338412-33-2 Catalog No: AG003ERS MDL No:
Product Description
Catalog Number:
AG003ERS
Chemical Name:
3-CYANO-2-(2-FORMYL-1H-PYRROL-1-YL)-4-METHOXYPYRIDINE
CAS Number:
338412-33-2
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
2-(2-formylpyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C12H9N3O2/c1-17-11-4-5-14-12(10(11)7-13)15-6-2-3-9(15)8-16/h2-6,8H,1H3
InChI Key:
IKVREFKXPJNUEL-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)ccnc1n1cccc1C=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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