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Home > Pyridines > 226702-84-7
226702-84-7 | 2-(pyridin-2-yl)-1H-1,3-benzodiazole-5-carbonitrile
CAS No: 226702-84-7 Catalog No: AG00J0K6 MDL No:MFCD23132104
Product Description
Catalog Number:
AG00J0K6
Chemical Name:
2-(pyridin-2-yl)-1H-1,3-benzodiazole-5-carbonitrile
CAS Number:
226702-84-7
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
MDL Number:
MFCD23132104
IUPAC Name:
2-pyridin-2-yl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C13H8N4/c14-8-9-4-5-10-12(7-9)17-13(16-10)11-3-1-2-6-15-11/h1-7H,(H,16,17)
InChI Key:
JOPNJLSDCGCEFK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc([nH]2)c1ccccn1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors. | Bioorganic & medicinal chemistry letters 20100715 |
| Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions. | Journal of medicinal chemistry 20060126 |
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