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150896-72-3 | 5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5-(4-pyridinylmethyl)- (9CI)
CAS No: 150896-72-3 Catalog No: AG001MXK MDL No:
Product Description
Catalog Number:
AG001MXK
Chemical Name:
5H-Cyclopenta[2,1-b:3,4-b']dipyridine, 5-(4-pyridinylmethyl)- (9CI)
CAS Number:
150896-72-3
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
InChI:
InChI=1S/C17H13N3/c1-3-13-15(11-12-5-9-18-10-6-12)14-4-2-8-20-17(14)16(13)19-7-1/h1-10,15H,11H2
InChI Key:
CBAPFGYFLTWKOJ-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CC1c2cccnc2c2c1cccn2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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