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820231-98-9 | Pyridine, 3-(6-iodo-1-hexynyl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-
CAS No: 820231-98-9 Catalog No: AG0053EO MDL No:
Product Description
Catalog Number:
AG0053EO
Chemical Name:
Pyridine, 3-(6-iodo-1-hexynyl)-5-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-
CAS Number:
820231-98-9
Molecular Formula:
C17H23IN2O
Molecular Weight:
398.2818
IUPAC Name:
3-(6-iodohex-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
InChI:
InChI=1S/C17H23IN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
InChI Key:
JUYVLWANRQTJCC-INIZCTEOSA-N
SMILES:
ICCCCC#Cc1cncc(c1)OC[C@@H]1CCCN1C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
398.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.288g/mol
Monoisotopic Mass:
398.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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