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1241428-31-8 | 6-Methoxy-5-(4-Methyl-1H-Imidazol-1-Yl)Picolinonitrile
CAS No: 1241428-31-8 Catalog No: AG00HHJF MDL No:MFCD28992016
Product Description
Catalog Number:
AG00HHJF
Chemical Name:
6-Methoxy-5-(4-Methyl-1H-Imidazol-1-Yl)Picolinonitrile
CAS Number:
1241428-31-8
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
MDL Number:
MFCD28992016
IUPAC Name:
6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C11H10N4O/c1-8-6-15(7-13-8)10-4-3-9(5-12)14-11(10)16-2/h3-4,6-7H,1-2H3
InChI Key:
NCIUGYXHXBFGBU-UHFFFAOYSA-N
SMILES:
COc1nc(C#N)ccc1n1cnc(c1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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