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1228666-51-0 | 3-(2-fFuoro-6-(pyrrolidin-1-yl)pyridin-3-yl)prop-2-yn-1-ol
CAS No: 1228666-51-0 Catalog No: AG00HH4B MDL No:MFCD16628229
Product Description
Catalog Number:
AG00HH4B
Chemical Name:
3-(2-fFuoro-6-(pyrrolidin-1-yl)pyridin-3-yl)prop-2-yn-1-ol
CAS Number:
1228666-51-0
Molecular Formula:
C12H13FN2O
Molecular Weight:
220.2428
MDL Number:
MFCD16628229
IUPAC Name:
3-(2-fluoro-6-pyrrolidin-1-ylpyridin-3-yl)prop-2-yn-1-ol
InChI:
InChI=1S/C12H13FN2O/c13-12-10(4-3-9-16)5-6-11(14-12)15-7-1-2-8-15/h5-6,16H,1-2,7-9H2
InChI Key:
NLUUDIUPNHSUEG-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(nc1F)N1CCCC1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.247g/mol
Monoisotopic Mass:
220.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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