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873443-69-7 | 3-PYRIDINECARBONITRILE, 2-CHLORO-4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-
CAS No: 873443-69-7 Catalog No: AG004L11 MDL No:
Product Description
Catalog Number:
AG004L11
Chemical Name:
3-PYRIDINECARBONITRILE, 2-CHLORO-4-(2-METHYLPHENYL)-6-(4-METHYL-1-PIPERAZINYL)-
CAS Number:
873443-69-7
Molecular Formula:
C18H19ClN4
Molecular Weight:
326.8233
IUPAC Name:
2-chloro-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C18H19ClN4/c1-13-5-3-4-6-14(13)15-11-17(21-18(19)16(15)12-20)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3
InChI Key:
IUYJRPWBKNBCIC-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(cc1c1ccccc1C)N1CCN(CC1)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.828g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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