1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

CAS: 337919-65-0

Formula: C12H12ClF3N2O2

SMILES: OC(=O)C1CCN(CC1)C1=NC=C(C=C1Cl)C(F)(F)F

IUPAC: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid

InChI: InChI=1S/C12H12ClF3N2O2/c13-9-5-8(12(14,15)16)6-17-10(9)18-3-1-7(2-4-18)11(19)20/h5-7H,1-4H2,(H,19,20)

Composition: C (46.69%), H (3.92%), Cl (11.48%), F (18.46%), N (9.08%), O (10.37%)

Molar Mass: 308.69

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	308.0539398
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GBLCZMUANRHJIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.8
Topological Polar Surface Area	53.43
Polarizability	24.72
Ring Count	2
Rotatable Bond Count	3

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