Home Carboxys Methyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate

Methyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate

CAS No.:
75092-26-1
Catalog Number:
AG008O3M
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$69
- +
5g
97%
In Stock USA
United States
$207
- +
10g
97%
In Stock USA
United States
$338
- +
25g
97%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG008O3M
Chemical Name:
Methyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
CAS Number:
75092-26-1
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
MDL Number:
MFCD01459851
IUPAC Name:
methyl 4-iodo-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H7IN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChI Key:
OTYGSOJERQNQFY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(I)cnn1C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties