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Home > Pyridines > 931926-94-2
931926-94-2 | 6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CAS No: 931926-94-2 Catalog No: AG00J5E1 MDL No:MFCD14282018
Product Description
Catalog Number:
AG00J5E1
Chemical Name:
6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CAS Number:
931926-94-2
Molecular Formula:
C14H15N3S
Molecular Weight:
257.3540
MDL Number:
MFCD14282018
IUPAC Name:
6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H15N3S/c1-2-16-8-5-11-12(9-15)14(18-13(11)10-16)17-6-3-4-7-17/h3-4,6-7H,2,5,8,10H2,1H3
InChI Key:
XSYPNQJZJFQQLJ-UHFFFAOYSA-N
SMILES:
CCN1CCc2c(C1)sc(c2C#N)n1cccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.355g/mol
Monoisotopic Mass:
257.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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