5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

CAS: 1260798-62-6

Formula: C9H5F3N2O2

SMILES: OC(=O)C1=CN2C(C=CC=C2C(F)(F)F)=N1

IUPAC: 5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)6-2-1-3-7-13-5(8(15)16)4-14(6)7/h1-4H,(H,15,16)

Composition: C (46.97%), H (2.19%), F (24.76%), N (12.17%), O (13.90%)

Molar Mass: 230.146

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.030311898
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CXMISGPOTMRORO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.67
Topological Polar Surface Area	54.6
Polarizability	17.08
Ring Count	2
Rotatable Bond Count	2

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