Home Carboxys 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 No.:
337919-65-0
Catalog Number:
AG00C6LW
Molecular Formula:
C12H12ClF3N2O2
Molecular Weight:
308.6841
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$242
- +
1g
95%
1 week
United States
$353
- +
Product Description
Catalog Number:
AG00C6LW
Chemical Name:
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CAS Number:
337919-65-0
Molecular Formula:
C12H12ClF3N2O2
Molecular Weight:
308.6841
MDL Number:
MFCD00172245
IUPAC Name:
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)
InChI Key:
GBLCZMUANRHJIZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.054g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.685g/mol
Monoisotopic Mass:
308.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties