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Home > Pyridines > 325140-61-2
325140-61-2 | (2E)-3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]prop-2-enenitrile
CAS No: 325140-61-2 Catalog No: AG00IY6P MDL No:MFCD00244350
Product Description
Catalog Number:
AG00IY6P
Chemical Name:
(2E)-3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]prop-2-enenitrile
CAS Number:
325140-61-2
Molecular Formula:
C16H13N3S
Molecular Weight:
279.3595
MDL Number:
MFCD00244350
IUPAC Name:
(E)-3-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C16H13N3S/c1-11-10-12(2)18-16-14(11)15(19-8-3-4-9-19)13(20-16)6-5-7-17/h3-6,8-10H,1-2H3/b6-5+
InChI Key:
XFJRWUGPUWTBIQ-AATRIKPKSA-N
SMILES:
N#C/C=C/c1sc2c(c1n1cccc1)c(C)cc(n2)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.361g/mol
Monoisotopic Mass:
279.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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