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4-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

4-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

CAS: 782441-07-0

Formula: C13H12FN3O2

SMILES: OC(=O)C1CC2=C(N=CN2)C(N1)C1=CC=C(F)C=C1

IUPAC: 4-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

InChI: InChI=1/C13H12FN3O2/c14-8-3-1-7(2-4-8)11-12-9(15-6-16-12)5-10(17-11)13(18)19/h1-4,6,10-11,17H,5H2,(H,15,16)(H,18,19)

Composition: C (59.77%), H (4.63%), F (7.27%), N (16.08%), O (12.25%)

Molar Mass: 261.256

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 261.091354801
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VUXDARVRKCNAKL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.44
Topological Polar Surface Area 78.01
Polarizability 25.13
Ring Count 3
Rotatable Bond Count 2

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