Home Nitriles 2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

CAS No.:
1248062-45-4
Catalog Number:
AG01BXY6
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
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Product Description
Catalog Number:
AG01BXY6
Chemical Name:
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CAS Number:
1248062-45-4
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD14660969
IUPAC Name:
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
InChI:
InChI=1S/C11H13N3O/c12-7-9-3-4-13-11(6-9)14-5-1-2-10(14)8-15/h3-4,6,10,15H,1-2,5,8H2
InChI Key:
NOSBTKOMUOPNFK-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1nccc(c1)C#N
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties