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Home > Pyridines > 1393709-49-3
1393709-49-3 | 3-Pyridinecarbonitrile, 5-(5-formyl-1-methyl-1H-pyrrol-2-yl)-
CAS No: 1393709-49-3 Catalog No: AG001AVE MDL No:
Product Description
Catalog Number:
AG001AVE
Chemical Name:
3-Pyridinecarbonitrile, 5-(5-formyl-1-methyl-1H-pyrrol-2-yl)-
CAS Number:
1393709-49-3
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
IUPAC Name:
5-(5-formyl-1-methylpyrrol-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H9N3O/c1-15-11(8-16)2-3-12(15)10-4-9(5-13)6-14-7-10/h2-4,6-8H,1H3
InChI Key:
HDRXDIYOVPQUOU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(n1C)c1cncc(c1)C#N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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