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Home > Pyridines > 338411-87-3
338411-87-3 | 4-methoxy-2-{2-[(1E)-(methoxyimino)methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS No: 338411-87-3 Catalog No: AG00ISN5 MDL No:MFCD00975458
Product Description
Catalog Number:
AG00ISN5
Chemical Name:
4-methoxy-2-{2-[(1E)-(methoxyimino)methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS Number:
338411-87-3
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
MDL Number:
MFCD00975458
IUPAC Name:
4-methoxy-2-[2-(methoxyiminomethyl)pyrrol-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H12N4O2/c1-18-12-5-6-15-13(11(12)8-14)17-7-3-4-10(17)9-16-19-2/h3-7,9H,1-2H3
InChI Key:
COSYNZUYYBYIJC-UHFFFAOYSA-N
SMILES:
CO/N=C/c1cccn1c1nccc(c1C#N)OC
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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