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Home > Pyridines > 630116-81-3
630116-81-3 | 2-piperidin-4-ylpyridine-3-carbonitrile
CAS No: 630116-81-3 Catalog No: AG00IB4Q MDL No:MFCD13191887
Product Description
Catalog Number:
AG00IB4Q
Chemical Name:
2-piperidin-4-ylpyridine-3-carbonitrile
CAS Number:
630116-81-3
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD13191887
IUPAC Name:
2-piperidin-4-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H13N3/c12-8-10-2-1-5-14-11(10)9-3-6-13-7-4-9/h1-2,5,9,13H,3-4,6-7H2
InChI Key:
FQAWTXMAIUDAGF-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1C1CCNCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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