Home Carboxys 4-Iodo-1-methyl-1h-pyrazole-3-carboxylic acid

4-Iodo-1-methyl-1h-pyrazole-3-carboxylic acid

CAS No.:
6647-98-9
Catalog Number:
AG00FAML
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95+%
1 week
United States
$23
- +
250mg
95+%
1 week
United States
$34
- +
Product Description
Catalog Number:
AG00FAML
Chemical Name:
4-Iodo-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
6647-98-9
Molecular Formula:
C5H5IN2O2
Molecular Weight:
252.0099
MDL Number:
MFCD00465278
IUPAC Name:
4-iodo-1-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C5H5IN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key:
UQPXGRAYQOWZOD-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(=O)O)I
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.94g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.011g/mol
Monoisotopic Mass:
251.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
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