4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

CAS: 478245-82-8

Formula: C13H9FN2O

SMILES: COC1=NC=CC(C2=CC=C(F)C=C2)=C1C#N

IUPAC: 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

InChI: InChI=1S/C13H9FN2O/c1-17-13-12(8-15)11(6-7-16-13)9-2-4-10(14)5-3-9/h2-7H,1H3

Composition: C (68.42%), H (3.98%), F (8.32%), N (12.27%), O (7.01%)

Molar Mass: 228.226

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.069891081
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IFUUGLMLKKBKIR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.75
Topological Polar Surface Area	45.91
Polarizability	24.38
Ring Count	2
Rotatable Bond Count	2

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