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

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

CAS: 1188435-80-4

Formula: C11H10ClF3N2O2

SMILES: OC(=O)C1CCCN1C1=NC=C(C=C1Cl)C(F)(F)F

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

InChI: InChI=1/C11H10ClF3N2O2/c12-7-4-6(11(13,14)15)5-16-9(7)17-3-1-2-8(17)10(18)19/h4-5,8H,1-3H2,(H,18,19)

Composition: C (44.84%), H (3.42%), Cl (12.03%), F (19.34%), N (9.51%), O (10.86%)

Molar Mass: 294.66

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	294.0382898
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WXKOCGWNMDEHQU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.79
Topological Polar Surface Area	53.43
Polarizability	22.93
Ring Count	2
Rotatable Bond Count	3

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