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Home > Pyridines > 956117-78-5
956117-78-5 | 4-(Furan-3-yl)-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 956117-78-5 Catalog No: AG019FZ0 MDL No:MFCD22493489
Product Description
Catalog Number:
AG019FZ0
Chemical Name:
4-(Furan-3-yl)-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
956117-78-5
Molecular Formula:
C14H8N2O2S
Molecular Weight:
268.2905
MDL Number:
MFCD22493489
IUPAC Name:
4-(furan-3-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C14H8N2O2S/c15-7-11-10(9-3-4-18-8-9)6-12(16-14(11)17)13-2-1-5-19-13/h1-6,8H,(H,16,17)
InChI Key:
PIVAYLXEQUTNGG-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1c1ccoc1)c1cccs1
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.29g/mol
Monoisotopic Mass:
268.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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