4-(benzyloxy)pyridine-2-carbonitrile

4-(benzyloxy)pyridine-2-carbonitrile

CAS: 100382-00-1

Formula: C13H10N2O

SMILES: N#CC1=NC=CC(OCC2=CC=CC=C2)=C1

IUPAC: 4-(benzyloxy)pyridine-2-carbonitrile

InChI: InChI=1S/C13H10N2O/c14-9-12-8-13(6-7-15-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2

Composition: C (74.27%), H (4.79%), N (13.33%), O (7.61%)

Molar Mass: 210.236

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	210.07931295
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KHDORVLVNIOXJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.33
Topological Polar Surface Area	45.91
Polarizability	23.37
Ring Count	2
Rotatable Bond Count	3

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