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Home > Pyridines > 850014-40-3
850014-40-3 | 1H-Pyrrolo[2,3-b]pyridine, 3-pentyl-
CAS No: 850014-40-3 Catalog No: AG004U3G MDL No:
Product Description
Catalog Number:
AG004U3G
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-pentyl-
CAS Number:
850014-40-3
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
IUPAC Name:
3-pentyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C12H16N2/c1-2-3-4-6-10-9-14-12-11(10)7-5-8-13-12/h5,7-9H,2-4,6H2,1H3,(H,13,14)
InChI Key:
NIDBIIIBFQJJHF-UHFFFAOYSA-N
SMILES:
CCCCCc1c[nH]c2c1cccn2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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