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Home > Pyridines > 865658-16-8
865658-16-8 | 2-methyl-6-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CAS No: 865658-16-8 Catalog No: AG00IPQL MDL No:MFCD03848446
Product Description
Catalog Number:
AG00IPQL
Chemical Name:
2-methyl-6-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CAS Number:
865658-16-8
Molecular Formula:
C23H22N2O3
Molecular Weight:
374.4324
MDL Number:
MFCD03848446
IUPAC Name:
2-methyl-6-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C23H22N2O3/c1-14-6-8-16(9-7-14)20-12-18(19(13-24)15(2)25-20)17-10-21(26-3)23(28-5)22(11-17)27-4/h6-12H,1-5H3
InChI Key:
IFQOTZQDIVIXQU-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc(cc1c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.44g/mol
Monoisotopic Mass:
374.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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