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Home > Indoles and Oxindole > 148639-25-2
148639-25-2 | 9H-Pyrido[3,4-b]indole, 1-(2-pyridinyl)-
CAS No: 148639-25-2 Catalog No: AG001L37 MDL No:
Product Description
Catalog Number:
AG001L37
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-(2-pyridinyl)-
CAS Number:
148639-25-2
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
IUPAC Name:
1-pyridin-2-yl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C16H11N3/c1-2-6-13-11(5-1)12-8-10-18-16(15(12)19-13)14-7-3-4-9-17-14/h1-10,19H
InChI Key:
MIJJBECNVSJLFN-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)c1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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