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5-(3-fluorophenyl)pyridine-3-carboxylic acid

5-(3-fluorophenyl)pyridine-3-carboxylic acid

CAS: 181705-88-4

Formula: C12H8FNO2

SMILES: OC(=O)C1=CC(=CN=C1)C1=CC(F)=CC=C1

IUPAC: 5-(3-fluorophenyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C12H8FNO2/c13-11-3-1-2-8(5-11)9-4-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)

Composition: C (66.36%), H (3.71%), F (8.75%), N (6.45%), O (14.73%)

Molar Mass: 217.199

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.053906665
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JARUBMHXTMGGFA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.51
Topological Polar Surface Area 50.19
Polarizability 22.36
Ring Count 2
Rotatable Bond Count 2

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