Home Carboxys 5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester

5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester

CAS No.:
661487-17-8
Catalog Number:
AG00IBKG
Molecular Formula:
C11H16IN3O2
Molecular Weight:
349.1681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00IBKG
Chemical Name:
5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 1,4,6,7-tetrahydro-3-iodo-, 1,1-dimethylethyl ester
CAS Number:
661487-17-8
Molecular Formula:
C11H16IN3O2
Molecular Weight:
349.1681
MDL Number:
MFCD27978466
IUPAC Name:
tert-butyl 3-iodo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-5-4-8-7(6-15)9(12)14-13-8/h4-6H2,1-3H3,(H,13,14)
InChI Key:
QXSGVQDVERTESA-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(I)n[nH]2)OC(C)(C)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.029g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
349.172g/mol
Monoisotopic Mass:
349.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties