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2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

CAS: 885272-74-2

Formula: C16H13N3

SMILES: CC1=CC=C(C=C1)C1=C(CC#N)N2C=CC=CC2=N1

IUPAC: 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

InChI: InChI=1S/C16H13N3/c1-12-5-7-13(8-6-12)16-14(9-10-17)19-11-3-2-4-15(19)18-16/h2-8,11H,9H2,1H3

Composition: C (77.71%), H (5.30%), N (16.99%)

Molar Mass: 247.301

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 247.110947431
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KFXYMUPAEISGJX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.91
Topological Polar Surface Area 41.09
Polarizability 29.58
Ring Count 3
Rotatable Bond Count 2

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